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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: P07858
No. Gene UniProt ID Protein Name Pathway PDB
1 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH


14 known interactions (drugs) of input target (CTSB): Cathepsin B
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07225 N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE Thumb
2 Experimental SmallMoleculeDrug DB07223 METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE Thumb
3 Experimental SmallMoleculeDrug DB07224 N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE Thumb
4 Experimental SmallMoleculeDrug DB02685 3-Methylphenylalanine Thumb
5 Experimental SmallMoleculeDrug DB04579 N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}- Thumb
6 Experimental SmallMoleculeDrug DB07231 N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE Thumb
7 Experimental SmallMoleculeDrug DB03329 2-Pyridinethiol Thumb
8 Experimental SmallMoleculeDrug DB07160 N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE Thumb
9 Experimental SmallMoleculeDrug DB03588 Diphenylacetic Acid Thumb
10 Experimental SmallMoleculeDrug DB02855 N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline Thumb
11 Experimental SmallMoleculeDrug DB02108 2-Aminoethanimidic Acid Thumb
12 Experimental SmallMoleculeDrug DB07219 BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE Thumb
13 Experimental SmallMoleculeDrug DB04126 N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane Thumb
14 Experimental SmallMoleculeDrug DB02148 3-Amino-4-Oxybenzyl-2-Butanone Thumb


20 predicted interactions (drugs) of input target (CTSB): Cathepsin B
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved SmallMoleculeDrug DB00795 Sulfasalazine Thumb 45.1%
2 Approved;
Investigational		 SmallMoleculeDrug DB01254 Dasatinib Thumb 32.9%
3 Approved;
Investigational		 SmallMoleculeDrug DB12010 Fostamatinib Thumb 32.9%
4 Approved;
Nutraceutical		 SmallMoleculeDrug DB13961 Fish oil Thumb 28.6%
5 Approved SmallMoleculeDrug DB11590 Thimerosal Thumb 26.0%
6 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 24.9%
7 Approved SmallMoleculeDrug DB08910 Pomalidomide Thumb 24.6%
8 Experimental SmallMoleculeDrug DB04464 N-Formylmethionine Thumb 23.8%
9 Investigational SmallMoleculeDrug DB05869 Ethyl pyruvate Thumb 23.5%
10 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 23.5%
11 Approved;
Vet approved		 SmallMoleculeDrug DB00945 Acetylsalicylic acid Thumb 22.1%
12 Experimental SmallMoleculeDrug DB02795 P-Anisic Acid Thumb 21.9%
13 Investigational SmallMoleculeDrug DB04912 Stannsoporfin Thumb 21.7%
14 Approved;
Investigational		 SmallMoleculeDrug DB00337 Pimecrolimus Thumb 21.3%
15 Experimental SmallMoleculeDrug DB07950 1H-INDOL-3-YLACETIC ACID Thumb 21.2%
16 Experimental;
Investigational		 SmallMoleculeDrug DB04216 Quercetin Thumb 20.9%
17 Approved;
Investigational		 SmallMoleculeDrug DB12332 Rucaparib Thumb 20.5%
18 Approved SmallMoleculeDrug DB00421 Spironolactone Thumb 20.5%
19 Experimental SmallMoleculeDrug DB08058 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one Thumb 20.5%
20 Experimental SmallMoleculeDrug DB01752 S-adenosyl-L-homocysteine Thumb 20.2%


  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.