Molecular target identification is of central importance to drug discovery. Here, we developed a computational approach, named bioactivity profile similarity search (BASS), for associating targets to small molecules by using the known target annotations of related compounds from public databases. To evaluate BASS, a bioactivity profile database was constructed using 4296 compounds that were commonly tested in the US National Cancer Institute 60 human tumor cell line anticancer drug screen (NCI-60). Each compound was used as a query to search against the entire bioactivity profile database, and reference compounds with similar bioactivity profiles above a threshold of 0.75 were considered as neighbor compounds of the query. Potential targets were subsequently linked to the identified neighbor compounds by using the known targets of the query compound. About 45% of the predicted compound-target associations were successfully verified retrospectively, suggesting the possible application of BASS in identifying the targets of uncharacterized compounds and thus providing insight into the study of promiscuity and polypharmacology. Furthermore, BASS identified a significant fraction of structurally diverse compounds with similar bioactivities, indicating its feasibility of “scaffold hopping” in searching novel molecules against the target of interest.

A database of oncogenes and tumor suppressor genes. Users can search by genes, chromosomes, and keywords. The coAnsensus domain analysis tool functions to identify conserved protein domains and GO terms among selected TAG genes, while the “oncogenic domain analysis” can analyze oncogenic potential of any user-provided protein based on a weighed term frequency table calculated from the TAG proteins. The completion of human genome sequences allows one to rapidly identify and analyze genes of interest through the use of computational approach. The available annotations including physical characterization and functional domains of known tumor-related genes thus can be used to study the role of genes involved in carcinogenesis. The tumor-associated gene (TAG) database was designed to utilize information from well-characterized oncogenes and tumor suppressor genes to facilitate cancer research. All target genes were identified through text-mining approach from the PubMed database. A semi-automatic information retrieving engine was built to collect specific information of these target genes from various resources and store in the TAG database. At current stage, 519 TAGs including 198 oncogenes, 170 tumor suppressor genes, and 151 genes related to oncogenesis were collected. Information collected in TAG database can be browsed through user-friendly web interfaces that provide searching genes by chromosome or by keywords. The “consensus domain analysis” tool functions to identify conserved protein domains and GO terms among selected TAG genes. In addition, the “oncogenic domain analysis” can analyze oncogenic potential of any user-provided protein based on a weighed term frequency table calculated from the TAG proteins. This study was supported by grant from National research program for genomic medicine (NRPGM) and personnel from Bioinformatics Center of Center for Biotechnology and Biosciences in the National Cheng Kung University, Taiwan.

Toxin and Toxin Target Database (T3DB) is a bioinformatics resource that combines detailed toxin data with comprehensive toxin target information.

Information for how to cite the MTE bundle.

Protein Structure Initiative - TargetTrack protein target registration database (795 MB, gzipped tarball)

The Protein Structure Initiative was a high-throughput structural genomics effort from 2000-2015 focused on developing technologies to enable greater coverage of protein structure space. Over its 15-year tenure, over 100 investigators at 35 centers (see ContributingCenters.xls) declared over 350,000 protein sequences (targets) that they would study using state-of-the-art protein production and structure determination methods. Many of these targets were selected through bioinformatics-based methods to serve as representatives for sequence and structure clusters.

From 2003-2010, these selected sequences and some basic identifying metadata were kept in a database called TargetDB, created at the Research Collaboratory for Structural Bioinformatics at Rutgers University. In 2008, a second database named PepcDB was created to track detailed experimental trial history and the standard protocols used by the PSI centers. These two databases became the principal structural genomics target databases, and were rolled into the PSI Structural Biology Knowledgebase in 2008.

As part of the third phase of the PSI, TargetDB and PepcDB were merged into a single resource, TargetTrack, to facilitate one-stop access to the data as well as expanding the schema to include new required data items. Participating centers deposited the latest status on their active targets and the protocols that were used (along with any deviations) on a weekly or quarterly basis. TargetTrack provided a variety of pre-computed data downloads on a weekly basis as well.

In July 2017, the Structural Biology Knowledgebase ceased operations. The files provided in this tarball represent the final datafiles generated by TargetTrack (timestamp June 30, 2017). Please read the README included in this dataset for descriptions of each file.

The entire TargetTrack datafile in XML format can be found in /TargetTrack XML files/tt.xml.gz

Key documentation can be found in the /Documentation folder.
TargetTrack schema: targetTrack-v1.4.1.pdf
Spreadsheet with TargetTrack enumerations for relevant fields: targetTrackEnumeratedDataItems-v1.4.1-1.xls
Image depicted the XML data schema: targetTrack-v1.4.1.jpg

These files are 868 MB in total size, uncompressed.
To open the tarball, use the command 'tar -zxvf TargetTrack-1Jul2017.tar.gz'

-- created by the PSI Structural Biology Knowledgebase, July 5, 2017

TargetDB, a target registration database, provides information on the experimental progress and status of targets selected for structure determination. Search sequences from the PSI Structural Genomics Centers and other Structural Genomics projects.For more information about how these proteins were cloned, expressed, purified, or other experimental protocols please go to the Protein expression, purification, and crystallization DataBase.

bibtext ref @article{li2024can, title={Can llm already serve as a database interface? a big bench for large-scale database grounded text-to-sqls}, author={Li, Jinyang and Hui, Binyuan and Qu, Ge and Yang, Jiaxi and Li, Binhua and Li, Bowen and Wang, Bailin and Qin, Bowen and Geng, Ruiying and Huo, Nan and others}, journal={Advances in Neural Information Processing Systems}, volume={36}, year={2024} }

The object detection data has a total of 453,244 images, including the collection of images of multiple categories, as well as rectangular box annotation for the images.

MassiveFold data generated for CASP16, in collaboration with CAPRI . 8040 predictions were generated for the target = 1005 x 8 sets of parameters. - a description of the setup can be found in MassiveFold_CASP16_Abstract.pdf - README.txt describes the contents of the main MassiveFold.tar.gz file - the main MassiveFold.tar.gz file contains all the predictions, divided into 8 folders named after the conditions. It contains predictions as well as pickle files, sequence alignments, rankings and plots. The README.txt file describes the contents of this tar.gz. - theonly_pdbs_MassiveFold.tar.gzis the result of thegather_runs.pyscript, without the pickle files. It contains a list of all the pdb files and ranking files with scores. -gather_runs.pyallows to gather the runs, to use preferentially to the one included in the mainMassiveFold.tar.gzat the time of the prediction phase, because it has been updated -combined_scores.csv` file contains the CASP assessment for the target (from https://predictioncenter.org/)

CREB target gene database that uses a multi-layered approach to predict, validate and characterize CREB target genes. For each gene, the database tries to provide the following information: 1. CREB binding sites on the promoters 2. Promoter occupancy by CREB 3. Gene activation by cAMP in tissues CREB seems to occupy a large number of promoters in the genome (up to ~5000 in human), and the profiles for CREB promoter occupancy are very similar in different human tissues. However, only a small proportion of CREB occupied genes are induced by cAMP in any cell type, possibly reflecting the requirement of additional regulatory partners that assist in recruitment of the transcriptional apparatus. To use the database, choose the species, select the table you want to search, leave field (''All'') and type in the gene you want to search. A table listing the search results will be returned, followed by the description of the table. If no search result is returned, try the official gene symbol or gene ID (locuslink number) from NCBI Entrez Gene to search. Sponsors: This work was supported by National Institutes of Health Grants GM RO1-037828 (to M.M.) and DK068655 (to R.A.Y.).

The dataset contains input and target variables for Waste-to-DME plant scenarios that were used to develop artificial neural networks. Applied waste types: (1) the organic fraction of municipal solid waste (OFMSW), (2) sewage sludge (SS).

Database that combines detailed toxin data with comprehensive toxin target information. The database currently houses 3,053 toxins described by 32,276 synonyms, including pollutants, pesticides, drugs, and food toxins, which are linked to 1,670 corresponding toxin target records. Altogether there are 37,084 toxin, toxin target associations. (March 2014) Each toxin record (ToxCard) contains over 50 data fields and holds information such as chemical properties and descriptors, toxicity values, molecular and cellular interactions, and medical information. This information has been extracted from over 5,454 sources sources, which include other databases, government documents, books, and scientific literature. The focus of the T3DB is on providing mechanisms of toxicity and target proteins for each toxin. This dual nature of the T3DB, in which toxin and toxin target records are interactively linked in both directions, makes it unique from existing databases. It is also fully searchable and supports extensive text, sequence, chemical structure, and relational query searches

Additional file 5. R script to extract the adverse effects data from FAERS xml file.

Target timetable data of the transport association, with and without route, in GTFS format. Since two different licenses apply here, please note the Notes on the license types ( Paragraph "Timetable data with line network - special license"). In addition, the respective licenses are mentioned again in the resources. The data set is updated every 1st and 3rd Tuesday of the month.

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Database Platform as a Service Market Outlook

The Database Platform as a Service (DBPaaS) market is poised for substantial growth, with a market size that was valued at USD 9.5 billion in 2023 and is projected to reach USD 25.3 billion by 2032, growing at a compound annual growth rate (CAGR) of 11.5% during the forecast period. This remarkable growth is driven by factors such as the increasing adoption of cloud-based solutions, the surge in data generation across various sectors, and the need for scalable and efficient database management systems. Furthermore, the growing demand for real-time data analytics to derive actionable insights and the rising trend of digital transformation across industries are further propelling the market's expansion.

One of the critical growth drivers of the DBPaaS market is the widespread embrace of cloud technology across businesses of all sizes. As organizations increasingly migrate their operations to the cloud, the demand for flexible and cost-effective database management solutions has surged. DBPaaS allows companies to manage databases without the need for complex on-premises infrastructure, enabling them to focus more on their core business objectives. This cloud-first approach is particularly appealing to small and medium enterprises (SMEs) that may lack the resources to maintain robust IT infrastructures, thereby fueling market growth across this segment.

Moreover, the acceleration of digital transformation initiatives across various industries is another pivotal factor influencing the growth of the DBPaaS market. Industries such as BFSI, healthcare, IT and telecommunications, and retail are increasingly relying on digital solutions to optimize their operations, improve customer experiences, and gain competitive advantages. As these sectors generate vast amounts of data, the need for efficient and scalable database management systems becomes paramount. DBPaaS offers these industries the agility and scalability required to handle their data needs effectively, thereby contributing significantly to market expansion.

The ongoing advancements in real-time data analytics and the increasing importance of data-driven decision-making are also boosting the DBPaaS market. Organizations today are keen on leveraging big data and analytics to enhance business operations and customer satisfaction. DBPaaS solutions provide the necessary infrastructure and tools to manage and analyze large datasets efficiently, allowing businesses to derive insights that can drive strategic initiatives. The ability to access real-time data analytics is crucial for industries like retail and BFSI, where timely decisions can significantly impact performance and profitability.

As the DBPaaS market continues to evolve, the concept of a Database Private Cloud is gaining traction among organizations seeking enhanced security and control over their data. Unlike public cloud solutions, a Database Private Cloud offers dedicated resources and infrastructure, ensuring higher levels of data privacy and compliance with industry regulations. This model is particularly appealing to sectors such as healthcare and BFSI, where data sensitivity and confidentiality are paramount. By opting for a Database Private Cloud, businesses can maintain greater oversight of their data environments, tailoring their database management strategies to meet specific security and operational requirements. This approach not only enhances data protection but also allows for more customized and efficient database solutions, aligning with the growing demand for secure cloud-based services.

Regionally, North America dominates the DBPaaS market due to the early adoption of innovative technologies and the presence of major cloud service providers. The region's mature IT infrastructure, coupled with a strong focus on digital transformation across verticals, creates a conducive environment for DBPaaS growth. Meanwhile, the Asia Pacific region is expected to witness the highest growth rate during the forecast period. Factors such as increasing investments in cloud infrastructure, rapid economic development, and the rising uptake of cloud services by SMEs in countries like India and China contribute to this regional surge. Europe also demonstrates steady growth, driven by stringent data protection regulations that encourage cloud adoption and database management solutions.

Service Type Analysis

The DBPaaS market is segmented based on service types into managed services and pr

Target stock price, live market quote, shares value, historical data, intraday chart, earnings per share and news.

Summary of MER contact science (CS) activities and targets. Localization information in Site Frame and within identifying images are provided where information was available. Contact science refers to analyses conducted by instruments deployed using the Instrument Deployment Device (IDD).

Examples of approved drugs and their potential S. mansoni targets that were previously reported on the literature, correctly identified by our target-based chemogenomics strategy.

IPLID integrates protein-ligand interaction data from multiple well-known resources, including BindingDB, ChEMBL, DrugBank, GPCRDB, PubChem, LINCS-HMS KinomeScan, and four published kinome assay results. Our database can facilitate projects in machine learning or deep learning-based drug development and other applications by providing integrated data sets appropriate for many research interests. Our database can be utilized for small-scale (e.g. kinases or GPCRs only) and large-scale (e.g. proteome-wide), qualitative or quantitative projects. With its ease of use and straightforward data format, IPLID offers a great educational resource for computer science and data science trainees who lack familiarity with chemistry and biology.

Data statistics

Target (data type) Activities | Unique chemicals | Unique proteins | File name

All (binary) 96318 | 18107 | 3107 | integrated_binary_activity.tsv

All (numerical) 2798365 | 683009 | 5876 | integrated_continuous_activity.tsv

CYP450 (binary) 67552 | 17273 | 47 | integrated_cyp450_binary.tsv

CRT (binary) 4152 | 1219 | 412 | integrated_cancer_related_targets_binary.tsv

CDT (binary) 519 | 349 | 88 | integrated_cardio_targets_binary.tsv

DRT (binary) 4433 | 1325 | 852 | integrated_disease_related_targets_binary.tsv

FDA (binary) 6217 | 1521 | 592 | integrated_fda_approved_targets_binary.tsv

GPCR (binary) 1958 | 545 | 129 | integrated_gpcr_binary.tsv

NR (binary) 1335 | 657 | 264 | integrated_nr_binary.tsv

PDT (binary) 1469 | 674 | 404 | integrated_potential_drug_targets_binary.tsv

TF (binary) 1966 | 998 | 304 | integrated_tf_binary.tsv

*Abbreviations: CYP450 (Cytochrome P450), CRT (Cancer-Related Target), CDT (Cardiovascular Disease candidate Target), DRT (Disease-Related Target), FDA (FDA-approved target), GPCR (G-Protein Coupled Receptor), NR (Nuclear Receptor), PDT (Potential Drug Target), TF (Transcription Factor)

*These protein classifications are from UniProt database and the Human Protein Atlas (https://www.proteinatlas.org/)

IPLID data statistics