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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: P07478
No. Gene UniProt ID Protein Name Pathway PDB
1 PRSS2 P07478 Trypsin-2 hsa04080; hsa04972; hsa04974; hsa05164 NA


8 known interactions (drugs) of input target (PRSS2): Trypsin-2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03127 Benzamidine Thumb
2 Experimental SmallMoleculeDrug DB01973 O-Benzylsulfonyl-Serine Thumb
3 Experimental SmallMoleculeDrug DB04410 3-Phenylpropylamine Thumb
4 Experimental SmallMoleculeDrug DB01805 Monoisopropylphosphorylserine Thumb
5 Approved;
Investigational		 SmallMoleculeDrug DB02325 Isopropyl Alcohol Thumb
6 Experimental SmallMoleculeDrug DB03976 Phosphorylisopropane Thumb
7 Experimental SmallMoleculeDrug DB04325 Phenethylamine Thumb
8 Experimental SmallMoleculeDrug DB02464 Benzylamine Thumb


20 predicted interactions (drugs) of input target (PRSS2): Trypsin-2
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB12598 Nafamostat Thumb 34.3%
2 Approved;
Investigational;
Withdrawn		 BiotechDrug DB06692 Aprotinin Thumb 33.1%
3 Experimental SmallMoleculeDrug DB03814 2-(N-Morpholino)-Ethanesulfonic Acid Thumb 30.0%
4 Experimental SmallMoleculeDrug DB01876 Bis(5-Amidino-2-Benzimidazolyl)Methanone Thumb 29.4%
5 Experimental SmallMoleculeDrug DB02287 2-(2-Hydroxy-Phenyl)-3h-Benzoimidazole-5-Carboxamidine Thumb 27.8%
6 Experimental SmallMoleculeDrug DB02112 Zk-806450 Thumb 27.6%
7 Experimental SmallMoleculeDrug DB04336 1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea Thumb 27.1%
8 Experimental SmallMoleculeDrug DB03417 1-(4-Tert-Butylcarbamoyl-Piperazine-1-Carbonyl)-3-(3-Guanidino-Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid Thumb 27.0%
9 Experimental SmallMoleculeDrug DB04654 4-PIPERIDIN-4-YLBUTANAL Thumb 26.1%
10 Experimental SmallMoleculeDrug DB02526 CRA_10655 Thumb 25.3%
11 Experimental SmallMoleculeDrug DB03555 CRA_11092 Thumb 25.3%
12 Experimental SmallMoleculeDrug DB07985 +/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE Thumb 25.0%
13 Experimental SmallMoleculeDrug DB02812 (2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide Thumb 24.5%
14 Experimental SmallMoleculeDrug DB03608 Diminazene Thumb 24.3%
15 Experimental SmallMoleculeDrug DB03136 4-Iodobenzo[B]Thiophene-2-Carboxamidine Thumb 24.3%
16 Experimental SmallMoleculeDrug DB04563 CRA_9678 Thumb 24.2%
17 Experimental SmallMoleculeDrug DB01905 2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine Thumb 24.2%
18 Approved;
Investigational		 BiotechDrug DB00075 Muromonab Thumb 24.1%
19 Experimental;
Investigational		 SmallMoleculeDrug DB03496 Alvocidib Thumb 23.3%
20 Experimental SmallMoleculeDrug DB03243 4-Fluorobenzylamine Thumb 23.3%


  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.