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Table 1 Summary of selected features/uses of databases and applications for exploring molecule–target relationships and their overlapping features with the Drug–Target Database

From: Probing the chemical–biological relationship space with the Drug Target Explorer

  Drug–Target Explorer Probe Miner DGIdb v3.0 DT-Web BindingDB Probes and Drugs Polypharmacology Browser STITCH ChEMBLSpace Carlsbad SuperTarget
Web app? X X X X X X X X   X X
Open-source software? X   X X—underlying R package only Unknown   X   X   
Search by targets to find drugs? X X X X X X X—only by PDB-listed ligands X X X X
Search by drugs to find targets? X   X X X X X X   X X
Identification of molecules that are associated with multiple query targets? X    Unknown   X      
Drug structure input? X    X X X X X    
Drug name/ID input? X   X X X X X X   X X
Visualize drug–target networks? X    X, with user provided drug–target networks Unknown    X   X  
Identify chemically similar drugs? X    X, with user provided drug–target networks X Scaffold search X X   X X
Allows queries using molecules not in database? X    X, with user provided drug–target networks X X X X    
Target organism? Human Human Human Human Human and others Human and others Human and others Human and others Unknown Human and others Human and others
Target space? 3.6 k 2.2 k 6.1 k 3.8 k > 7 k > 6 k 4.6 k 9.6 mil Unknown 3.7 k > 6 k
Chemical space? 280 k 400 k 10 k 4.4 k > 642 k > 43 k 870 k 500 k Unknown > 435 k > 196 k
Quantitative interactions? X X   Unknown X X X X X X X
Qualitative interaction? X X X X   X   Unknown    X
Explore polypharmacology? X X X X X X X X X X X
Polypharmacologic target enrichment? X      X   X    X
Comparison of query molecule to HTS drug response datasets? X           
Target prediction?     X X   X     
Database access? Open Open Open Open Open Open Open Full database requires license Unknown Open Unknown
Last known update 2018 2018 2018 2018 2018 2018 2016 2016 2015 2014 2012
  1. Related tools include Probe Miner [16], DGIdb [8], DT-Web [9], BindingDB [10], Probes and Drugs [15], CarlsbadOne [14], Polypharmacology Browser [11], STITCH [12], ChEMBLSpace [17], and SuperTarget [13]