QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

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: P35030
No. Gene UniProt ID Protein Name Pathway PDB
1 PRSS3 P35030 Trypsin-3 hsa04080; hsa04972; hsa04974; hsa05164 1H4W; 2R9P; 3L33; 3L3T; 3P92; 3P95; 4DG4; 4U30; 4U32


8 known interactions (drugs) of input target (PRSS3): Trypsin-3
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03129 [3-(1,3,2-Dioxaborolan-2-Yloxy)Propyl]Guanidine Thumb
2 Experimental SmallMoleculeDrug DB04369 1,3,2-Dioxaborolan-2-Ol Thumb
3 Experimental SmallMoleculeDrug DB03127 Benzamidine Thumb
4 Experimental SmallMoleculeDrug DB02308 4-(1,3,2-Dioxaborolan-2-Yloxy)Butan-1-Aminium Thumb
5 Experimental SmallMoleculeDrug DB02585 4-(Hydroxymethyl)Benzamidine Thumb
6 Experimental SmallMoleculeDrug DB02541 4-Hydroxybutan-1-Aminium Thumb
7 Experimental SmallMoleculeDrug DB03637 Guanidine-3-Propanol Thumb
8 Experimental SmallMoleculeDrug DB04109 [4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine Thumb


20 predicted interactions (drugs) of input target (PRSS3): Trypsin-3
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB01593 Zinc Thumb 39.1%
2 Approved;
Investigational		 SmallMoleculeDrug DB01174 Phenobarbital Thumb 24.9%
3 Approved;
Nutraceutical		 SmallMoleculeDrug DB13961 Fish oil Thumb 23.7%
4 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB01392 Yohimbine Thumb 22.2%
5 Approved SmallMoleculeDrug DB11093 Calcium Citrate Thumb 22.2%
6 Experimental SmallMoleculeDrug DB03633 Lpc-Ether Thumb 20.6%
7 Investigational SmallMoleculeDrug DB05434 ABT-510 Thumb 20.0%
8 Approved SmallMoleculeDrug DB00277 Theophylline Thumb 19.6%
9 Experimental SmallMoleculeDrug DB07702 (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL Thumb 19.6%
10 Approved SmallMoleculeDrug DB11348 Calcium Phosphate Thumb 19.5%
11 Approved;
Investigational		 SmallMoleculeDrug DB09213 Dexibuprofen Thumb 19.4%
12 Experimental SmallMoleculeDrug DB03597 Gamma-Glutamyl[S-(2-Iodobenzyl)Cysteinyl]Glycine Thumb 19.3%
13 Experimental SmallMoleculeDrug DB02910 Octanoyl-Coenzyme A Thumb 19.1%
14 Approved SmallMoleculeDrug DB00823 Ethynodiol diacetate Thumb 19.0%
15 Experimental SmallMoleculeDrug DB04310 2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide Thumb 18.8%
16 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb 18.5%
17 Approved;
Investigational		 SmallMoleculeDrug DB01083 Orlistat Thumb 18.3%
18 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB01708 Prasterone Thumb 18.3%
19 Approved;
Investigational		 SmallMoleculeDrug DB06151 Acetylcysteine Thumb 18.1%
20 Experimental SmallMoleculeDrug DB02261 Platelet Activating Factor 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.