QuartataWeb
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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: P07288
No. Gene UniProt ID Protein Name Pathway PDB
1 KLK3 P07288 Prostate-specific antigen hsa05200; hsa05215 1PFA; 2PSA; 2ZCH; 2ZCK; 2ZCL; 3QUM


2 known interactions (drugs) of input target (KLK3): Prostate-specific antigen
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00834 Mifepristone Thumb
2 Approved;
Investigational		 SmallMoleculeDrug DB04839 Cyproterone acetate Thumb


20 predicted interactions (drugs) of input target (KLK3): Prostate-specific antigen
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 35.8%
2 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 35.2%
3 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb 23.8%
4 Approved SmallMoleculeDrug DB08867 Ulipristal Thumb 19.4%
5 Approved;
Investigational		 SmallMoleculeDrug DB06713 Norelgestromin Thumb 19.1%
6 Approved SmallMoleculeDrug DB11619 Gestrinone Thumb 18.9%
7 Approved SmallMoleculeDrug DB09123 Dienogest Thumb 18.5%
8 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00755 Tretinoin Thumb 17.0%
9 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB01234 Dexamethasone Thumb 16.7%
10 Approved;
Investigational		 SmallMoleculeDrug DB03756 Doconexent Thumb 16.7%
11 Approved;
Nutraceutical		 SmallMoleculeDrug DB00139 Succinic acid Thumb 16.7%
12 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 16.3%
13 Approved;
Investigational		 SmallMoleculeDrug DB11064 Homosalate Thumb 16.2%
14 Experimental SmallMoleculeDrug DB02746 Phthalic Acid Thumb 16.2%
15 Approved;
Withdrawn		 SmallMoleculeDrug DB00431 Lindane Thumb 16.2%
16 Approved;
Investigational		 SmallMoleculeDrug DB08604 Triclosan Thumb 16.2%
17 Experimental SmallMoleculeDrug DB02266 Flufenamic Acid Thumb 16.2%
18 Approved SmallMoleculeDrug DB01592 Iron Thumb 15.4%
19 Approved SmallMoleculeDrug DB00822 Disulfiram Thumb 15.1%
20 Approved SmallMoleculeDrug DB01406 Danazol Thumb 15.0%


  logl

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.