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Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: P43235
No. Gene UniProt ID Protein Name Pathway PDB
1 CTSK P43235 Cathepsin K hsa04142; hsa04210; hsa04380; hsa04620; hsa05323


21 known interactions (drugs) of input target (CTSK): Cathepsin K
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB04234 N2-({[(4-Bromophenyl)Methyl]Oxy}Carbonyl)-N1-[(1s)-1-Formylpentyl]-L-Leucinamide Thumb
2 Experimental SmallMoleculeDrug DB03456 N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide Thumb
3 Experimental SmallMoleculeDrug DB07563 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine Thumb
4 Experimental SmallMoleculeDrug DB04523 Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate Thumb
5 Experimental SmallMoleculeDrug DB01858 [1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate Thumb
6 Experimental SmallMoleculeDrug DB08270 N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE Thumb
7 Investigational SmallMoleculeDrug DB06670 Odanacatib Thumb
8 Experimental SmallMoleculeDrug DB02679 Cyanamide Thumb
9 Experimental SmallMoleculeDrug DB08594 TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE Thumb
10 Experimental SmallMoleculeDrug DB07967 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE Thumb
11 Experimental SmallMoleculeDrug DB07593 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE Thumb
12 Experimental SmallMoleculeDrug DB07965 6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile Thumb
13 Experimental SmallMoleculeDrug DB08287 (1R,2R)-N-(2-Aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide Thumb
14 Experimental SmallMoleculeDrug DB02869 3-amino-5-phenylpentane Thumb
15 Investigational SmallMoleculeDrug DB05736 MIV-701 Thumb
16 Experimental SmallMoleculeDrug DB03891 1,5-Bis(N-Benzyloxycarbonyl-L-Leucinyl)Carbohydrazide Thumb
17 Experimental SmallMoleculeDrug DB03642 Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide Thumb
18 Experimental SmallMoleculeDrug DB03405 N2-[(Benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxo-3-pyrrolidinyl]-L-leucinamide Thumb
19 Investigational SmallMoleculeDrug DB06367 Relacatib Thumb
20 Experimental SmallMoleculeDrug DB07592 (2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate Thumb
21 Experimental SmallMoleculeDrug DB04244 (2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide Thumb


20 predicted interactions (drugs) of input target (CTSK): Cathepsin K
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Experimental SmallMoleculeDrug DB02494 Alpha-Hydroxy-Beta-Phenyl-Propionic Acid Thumb 41.9%
2 Experimental SmallMoleculeDrug DB01694 D-tartaric acid Thumb 28.4%
3 Approved;
Experimental		 SmallMoleculeDrug DB03017 Lauric Acid Thumb 27.2%
4 Experimental SmallMoleculeDrug DB03345 Beta-Mercaptoethanol Thumb 26.8%
5 Approved;
Investigational		 SmallMoleculeDrug DB08862 Cholecystokinin Thumb 26.5%
6 Approved SmallMoleculeDrug DB13146 Fluciclovine (18F) Thumb 26.0%
7 Experimental SmallMoleculeDrug DB08342 S-PALMITOYL-L-CYSTEINE Thumb 25.8%
8 Experimental SmallMoleculeDrug DB08437 Puromycin Thumb 24.7%
9 Investigational SmallMoleculeDrug DB04847 Roxadustat Thumb 24.7%
10 Approved;
Withdrawn		 SmallMoleculeDrug DB09336 Technetium Tc-99m nofetumomab merpentan Thumb 24.5%
11 Approved SmallMoleculeDrug DB06779 Dalteparin Thumb 24.1%
12 Investigational;
Nutraceutical		 SmallMoleculeDrug DB00171 ATP Thumb 24.0%
13 Investigational SmallMoleculeDrug DB04927 NM100060 Thumb 23.4%
14 Approved;
Vet approved		 SmallMoleculeDrug DB00819 Acetazolamide Thumb 23.3%
15 Investigational SmallMoleculeDrug DB05255 Ronacaleret Thumb 23.0%
16 Experimental SmallMoleculeDrug DB07374 Anisomycin Thumb 22.8%
17 Approved BiotechDrug DB06643 Denosumab Thumb 22.8%
18 Investigational SmallMoleculeDrug DB06448 Lonafarnib Thumb 22.3%
19 Experimental SmallMoleculeDrug DB09207 AS-8112 Thumb 22.0%
20 Experimental SmallMoleculeDrug DB01946 3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione Thumb 21.6%


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Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.