Ursu O, Holmes J, Knockel J et al (2016) DrugCentral: online drug compendium. Nucleic Acids Res 45:D932–D939

Article  PubMed  PubMed Central  Google Scholar 

Ursu O, Holmes J, Bologa CG et al (2019) DrugCentral 2018: an update. Nucleic Acids Res 47:D963–D970

Article  CAS  PubMed  Google Scholar 

Avram S, Bologa CG, Holmes J et al (2021) DrugCentral 2021 supports drug discovery and repositioning. Nucleic Acids Res 49:D1160–D1169

Article  CAS  PubMed  Google Scholar 

Avram S, Wilson TB, Curpan R et al (2023) DrugCentral 2023 extends human clinical data and integrates veterinary drugs. Nucleic Acids Res 51:D1276–D1287

Article  CAS  PubMed  Google Scholar 

FDA U.S. Food and Drug Administration. https://www.fda.gov/. Accessed 31 Dec 2022

EMA European Medicines Agency. In: European medicines agency. https://www.ema.europa.eu/en. Accessed 31 Dec 2022

Pharmaceuticals and Medical Devices Agency. https://www.pmda.go.jp/english/. Accessed 31 Dec 2022

World Health Organization—international nonproprietary names programme and classification of medical products. https://www.who.int/teams/health-product-and-policy-standards/inn/. Accessed 22 Nov2022

AMA Finder. https://searchusan.ama-assn.org/finder/usan/search/*/relevant/1/. Accessed 12 Jan 2023

Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (1997) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 23:3–25

Article  CAS  Google Scholar 

Oprea TI (2000) Property distribution of drug-related chemical databases. J Comput Aided Mol Des 14:251–264

Article  CAS  PubMed  Google Scholar 

Leo AJ (1993) Calculating log Poct from structures. Chem Rev 93:1281–1306

Article  CAS  Google Scholar 

Ertl P, Rohde B, Selzer P (2000) Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. J Med Chem 43:3714–3717

Article  CAS  PubMed  Google Scholar 

Milletti F, Storchi L, Goracci L et al (2010) Extending pKa prediction accuracy: high-throughput pKa measurements to understand pKa modulation of new chemical series. Eur J Med Chem 45:4270–4279

Article  CAS  PubMed  Google Scholar 

Bocci G, Oprea TI, Benet LZ (2022) State of the art and uses for the biopharmaceutics drug disposition classification system (BDDCS): new additions, revisions, and citation references. AAPS J 24:37

Article  CAS  PubMed  Google Scholar 

Hastings J, Owen G, Dekker A et al (2016) ChEBI in 2016: improved services and an expanding collection of metabolites. Nucleic Acids Res 44:D1214–D1219

Article  CAS  PubMed  Google Scholar 

Nelson SJ (2009) Medical terminologies that work: the example of MeSH. In: 2009 10th International symposium on pervasive systems, algorithms, and networks. pp 380–384

U.S Food & Drug Administration Pharmacologic Class. https://www.fda.gov/industry/structured-product-labeling-resources/pharmacologic-class. Accessed 11 Jan 2023

Avram S, Curpan R, Halip L et al (2020) Off-patent drug repositioning. J Chem Inf Model 60:5746–5753

Article  CAS  PubMed  Google Scholar 

Chemical Abstract Service (CAS). In: CAS. https://www.cas.org/cas-data. Accessed 11 Jan 2023

KEGG: Kyoto encyclopedia of genes and genomes. https://www.genome.jp/kegg/. Accessed 10 Jan 2023

Lin Y, Mehta S, Küçük-McGinty H et al (2017) Drug target ontology to classify and integrate drug discovery data. J Biomed Semant 8:50

Article  Google Scholar 

Santos R, Ursu O, Gaulton A et al (2017) A comprehensive map of molecular drug targets. Nat Rev Drug Discov 16:19–34

Article  CAS  PubMed  Google Scholar 

Mendez D, Gaulton A, Bento AP et al (2019) ChEMBL: towards direct deposition of bioassay data. Nucleic Acids Res 47:D930–D940

Article  CAS  PubMed  Google Scholar 

Olah M, Rad R, Ostopovici L et al (2007) WOMBAT and WOMBAT-PK: bioactivity databases for lead and drug discovery. Chemical biology. Wiley, Hoboken, pp 760–786

Chapter  Google Scholar 

Ganter B, Tugendreich S, Pearson CI et al (2005) Development of a large-scale chemogenomics database to improve drug candidate selection and to understand mechanisms of chemical toxicity and action. J Biotechnol 119:219–244

Article  CAS  PubMed  Google Scholar 

Armstrong JF, Faccenda E, Harding SD et al (2020) The IUPHAR/BPS guide to pharmacology in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV guide to malaria pharmacology. Nucleic Acids Res 48:D1006–D1021

CAS  PubMed  Google Scholar 

Roth BL, Lopez E, Patel S, Kroeze WK (2000) The multiplicity of serotonin receptors: uselessly diverse molecules or an embarrassment of riches? Neuroscientist 6:252–262

Article  CAS  Google Scholar 

The UniProt Consortium, Bateman A, Martin M-J et al (2020) UniProt: the universal protein knowledgebase in 2021. Nucleic Acids Res 49:D480–D489

Article  Google Scholar 

Knight ZA, Shokat KM (2005) Features of selective kinase inhibitors. Chem Biol 12:621–637

Article  CAS  PubMed  Google Scholar 

Avram S, Curpan R, Bora A et al (2018) Enhancing molecular promiscuity evaluation through assay profiles. Pharm Res 35:240

Article  PubMed  Google Scholar 

Ursu O, Glick M, Oprea T (2019) Novel drug targets in 2018. Nat Rev Drug Discov 18:328

Google Scholar 

Avram S, Halip L, Curpan R, Oprea TI (2020) Novel drug targets in 2019. Nat Rev Drug Discov 19:300

Article  CAS  PubMed  Google Scholar 

Avram S, Halip L, Curpan R, Oprea TI (2021) Novel drug targets in 2020. Nat Rev Drug Discov 20:333

Article  CAS  PubMed  Google Scholar 

Avram S, Halip L, Curpan R, Oprea TI (2022) Novel drug targets in 2021. Nat Rev Drug Discov 21:328

Article  CAS  PubMed  Google Scholar 

Avram S, Halip L, Curpan R, Oprea TI (2023) Novel drug targets in 2022. Nat Rev Drug Discov 22:437

Article  CAS  Google Scholar 

Oprea TI, Bologa CG, Brunak S et al (2018) Unexplored therapeutic opportunities in the human genome. Nat Rev Drug Discov 17:317–332

Article  CAS  PubMed  PubMed Central  Google Scholar 

Sheils TK, Mathias SL, Kelleher KJ et al (2021) TCRD and Pharos 2021: mining the human proteome for disease biology. Nucleic Acids Res 49:D1334–D1346

Article  CAS  PubMed  Google Scholar 

Sheils T, Mathias SL, Siramshetty VB et al (2020) How to illuminate the druggable genome using pharos. Curr Protoc Bioinform 69:e92

Article  Google Scholar 

FDA Adverse Event Reporting System (FAERS). https://open.fda.gov/data/faers/. Accessed 22 Nov 2022

OHDSI—Observational health data sciences and informatics. https://www.ohdsi.org/. Accessed 15 Aug 2018

Donnelly K (2006) SNOMED-CT: the advanced terminology and coding system for eHealth. Stud Health Technol Inform 121:279–290

PubMed  Google Scholar 

Bodenreider O (2004) The unified medical language system (UMLS): integrating biomedical terminology. Nucleic Acids Res 32:D267–D270

Article  CAS  PubMed  PubMed Central  Google Scholar 

Disease Ontology—Institute for genome sciences @ University of Maryland. https://disease-ontology.org/. Accessed 12 Jan 2023

FDA’s Global Substance Registration System. https://precision.fda.gov/uniisearch. Accessed 22 Nov 2022

Medical Dictionary for Regulatory Activities (MedDRA). https://www.meddra.org/

Huang L, Zalkikar J, Tiwari RC (2011) A likelihood ratio test based method for signal detection with application to FDA’s drug safety data. J Am Stat Assoc 106:1230–1241

Article  CAS  Google Scholar 

National Library of Medicine (NLM)’s DailyMed. https://dailymed.nlm.nih.gov/dailymed/. Accessed 23 Nov 2022

Orange Book: Approved drug products with therapeutic equivalence evaluations. Accessed 22 Nov 2022

National Institute of Health’s Library of Integrated Network-Based Cellular Signatures (LINCS) Program. https://lincsproject.org/

Subramanian A, Narayan R, Corsello SM et al (2017) A next generation connectivity map: L1000 platform and the first 1,000,000 profiles. Cell 171:1437-1452.e17

Article  CAS  PubMed  PubMed Central  Google Scholar 

Kc GB, Bocci G, Verma S et al (2021) A machine learning platform to estimate anti-SARS-CoV-2 activities. Nat Mach Intell 3:527–535

Article  Google Scholar 

National Center for Advancing Translational Sciences—OpenData portal: SARS-CoV-2 screening data. https://opendata.ncats.nih.gov/covid19/assays. Accessed 22 Nov 2022

Brimacombe KR, Zhao T, Eastman RT, et al. (2020) An OpenData portal to share COVID-19 drug repurposing data in real time. bioRxivorg. https://doi.org/10.1101/2020.06.04.135046

Pedregosa F, Varoquaux G, Gramfort A et al (2011) Scikit-learn: machine learning in python. J Mach Learn Res 12:2825–2830

Google Scholar 

Ingason AB, Hreinsson JP, Agustsson AS et al (2022) Warfarin is associated with higher rates of upper but not lower gastrointestinal bleeding compared to direct oral anticoagulants: a population-based propensity-weighted cohort study. Clin Gastroenterol Hepatol. https://doi.org/10.1016/j.cgh.2022.06.033

Article  PubMed