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: P08254
No. Gene UniProt ID Protein Name Pathway PDB
1 MMP3 P08254 Stromelysin-1 hsa04657; hsa04668; hsa05202; hsa05215; hsa05323


22 known interactions (drugs) of input target (MMP3): Stromelysin-1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB07390 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE Thumb
2 Experimental SmallMoleculeDrug DB07988 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE Thumb
3 Experimental SmallMoleculeDrug DB02090 A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor Thumb
4 Experimental SmallMoleculeDrug DB01877 N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide Thumb
5 Experimental SmallMoleculeDrug DB02350 N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide Thumb
6 Experimental SmallMoleculeDrug DB08507 N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID Thumb
7 Experimental SmallMoleculeDrug DB04232 N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide Thumb
8 Experimental SmallMoleculeDrug DB07987 [2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER Thumb
9 Experimental SmallMoleculeDrug DB03368 5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione Thumb
10 Experimental SmallMoleculeDrug DB08643 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER Thumb
11 Experimental SmallMoleculeDrug DB02367 (1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine Thumb
12 Experimental SmallMoleculeDrug DB08030 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide Thumb
13 Experimental SmallMoleculeDrug DB08029 N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide Thumb
14 Experimental SmallMoleculeDrug DB07986 [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID Thumb
15 Experimental SmallMoleculeDrug DB03033 1-Methyloxy-4-Sulfone-Benzene Thumb
16 Experimental SmallMoleculeDrug DB08271 N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID Thumb
17 Approved;
Investigational		 SmallMoleculeDrug DB00786 Marimastat Thumb
18 Experimental SmallMoleculeDrug DB04416 R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid Thumb
19 Experimental SmallMoleculeDrug DB01996 3-Methylpyridine Thumb
20 Experimental SmallMoleculeDrug DB02449 3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid Thumb
21 Experimental SmallMoleculeDrug DB02697 Hydroxyaminovaline Thumb
22 Experimental SmallMoleculeDrug DB04140 1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide Thumb


20 predicted interactions (drugs) of input target (MMP3): Stromelysin-1
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Nutraceutical		 SmallMoleculeDrug DB00142 Glutamic Acid Thumb 41.6%
2 Approved SmallMoleculeDrug DB06589 Pazopanib Thumb 29.9%
3 Experimental SmallMoleculeDrug DB01972 Guanosine-5'-Monophosphate Thumb 29.6%
4 Experimental SmallMoleculeDrug DB03880 Batimastat Thumb 27.3%
5 Approved SmallMoleculeDrug DB09079 Nintedanib Thumb 26.5%
6 Experimental;
Investigational		 SmallMoleculeDrug DB08490 CTS-1027 Thumb 25.7%
7 Approved;
Investigational		 SmallMoleculeDrug DB01206 Lomustine Thumb 25.7%
8 Approved;
Nutraceutical		 SmallMoleculeDrug DB00126 Vitamin C Thumb 25.4%
9 Investigational SmallMoleculeDrug DB06080 ABT-869 Thumb 25.1%
10 Experimental SmallMoleculeDrug DB03685 Uridine monophosphate Thumb 23.9%
11 Approved;
Nutraceutical		 SmallMoleculeDrug DB00157 NADH Thumb 23.7%
12 Experimental SmallMoleculeDrug DB07827 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID Thumb 23.6%
13 Approved;
Investigational		 SmallMoleculeDrug DB00255 Diethylstilbestrol Thumb 23.4%
14 Experimental SmallMoleculeDrug DB02345 Selenocysteine Thumb 22.6%
15 Experimental SmallMoleculeDrug DB04759 PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) Thumb 22.5%
16 Experimental SmallMoleculeDrug DB07009 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL Thumb 22.3%
17 Experimental SmallMoleculeDrug DB08848 Guvacine Thumb 21.9%
18 Experimental SmallMoleculeDrug DB02622 2-(Oxalyl-Amino)-Benzoic Acid Thumb 21.6%
19 Experimental SmallMoleculeDrug DB08388 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE Thumb 21.6%
20 Approved;
Investigational		 SmallMoleculeDrug DB08908 Dimethyl fumarate Thumb 21.5%


  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.