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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: Q9UBX1
No. Gene UniProt ID Protein Name Pathway PDB
1 CTSF Q9UBX1 Cathepsin F hsa04142; hsa04210 1D5U; 1M6D


8 known interactions (drugs) of input target (CTSF): Cathepsin F
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03573 WRR-99 Thumb
2 Experimental SmallMoleculeDrug DB07913 HOMOPHENYLALANINYLMETHANE Thumb
3 Experimental SmallMoleculeDrug DB03691 WRR-112 Thumb
4 Experimental SmallMoleculeDrug DB08775 Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxo-2-butanyl]-L-tyrosinamide Thumb
5 Experimental SmallMoleculeDrug DB01871 [1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester Thumb
6 Experimental SmallMoleculeDrug DB02243 4-Morpholin-4-Yl-Piperidine-1-Carboxylic Acid [1-(3-Benzenesulfonyl-1-Propyl-Allylcarbamoyl)-2-Phenylethyl]-Amide Thumb
7 Experimental SmallMoleculeDrug DB03536 Benzoyl-Arginine-Alanine-Methyl Ketone Thumb
8 Experimental SmallMoleculeDrug DB01810 [1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester Thumb


20 predicted interactions (drugs) of input target (CTSF): Cathepsin F
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB03088 Pidolic Acid Thumb 23.0%
2 Approved;
Investigational		 SmallMoleculeDrug DB11633 Isavuconazole Thumb 22.3%
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB13961 Fish oil Thumb 22.2%
4 Investigational;
Withdrawn		 SmallMoleculeDrug DB01388 Mibefradil Thumb 22.1%
5 Approved SmallMoleculeDrug DB01024 Mycophenolic acid Thumb 22.1%
6 Experimental SmallMoleculeDrug DB08413 METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER Thumb 21.9%
7 Approved;
Withdrawn		 SmallMoleculeDrug DB11148 Butamben Thumb 21.7%
8 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 21.4%
9 Approved SmallMoleculeDrug DB00661 Verapamil Thumb 21.2%
10 Approved;
Investigational		 SmallMoleculeDrug DB09229 Aranidipine Thumb 21.1%
11 Approved;
Investigational		 SmallMoleculeDrug DB01023 Felodipine Thumb 20.9%
12 Approved;
Investigational		 SmallMoleculeDrug DB09238 Manidipine Thumb 20.7%
13 Experimental SmallMoleculeDrug DB03226 Trifluoroethanol Thumb 20.4%
14 Approved;
Nutraceutical		 SmallMoleculeDrug DB01373 Calcium Thumb 19.9%
15 Approved;
Nutraceutical		 SmallMoleculeDrug DB11338 Clove oil Thumb 19.4%
16 Investigational SmallMoleculeDrug DB05210 SF1126 Thumb 18.8%
17 Approved;
Investigational		 SmallMoleculeDrug DB00622 Nicardipine Thumb 18.7%
18 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 18.5%
19 Approved;
Investigational		 SmallMoleculeDrug DB00642 Pemetrexed Thumb 18.5%
20 Approved;
Vet approved		 SmallMoleculeDrug DB08818 Hyaluronic acid Thumb 18.1%


  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.