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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: P45452
No. Gene UniProt ID Protein Name Pathway PDB
1 MMP13 P45452 Collagenase 3 hsa04657; hsa04926; hsa04928


14 known interactions (drugs) of input target (MMP13): Collagenase 3
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB08561 BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE Thumb
2 Experimental SmallMoleculeDrug DB03033 1-Methyloxy-4-Sulfone-Benzene Thumb
3 Experimental SmallMoleculeDrug DB02049 2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide Thumb
4 Experimental SmallMoleculeDrug DB02071 WAY-151693 Thumb
5 Approved;
Investigational		 SmallMoleculeDrug DB00786 Marimastat Thumb
6 Experimental SmallMoleculeDrug DB04761 PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE] Thumb
7 Experimental SmallMoleculeDrug DB08388 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE Thumb
8 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
9 Experimental;
Investigational		 SmallMoleculeDrug DB08490 CTS-1027 Thumb
10 Experimental SmallMoleculeDrug DB02697 Hydroxyaminovaline Thumb
11 Experimental SmallMoleculeDrug DB07013 TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE Thumb
12 Experimental SmallMoleculeDrug DB04759 PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) Thumb
13 Experimental SmallMoleculeDrug DB04760 PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE) Thumb
14 Experimental SmallMoleculeDrug DB01996 3-Methylpyridine Thumb


20 predicted interactions (drugs) of input target (MMP13): Collagenase 3
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image Confidence score
1 Approved;
Investigational		 SmallMoleculeDrug DB09130 Copper Thumb 40.8%
2 Experimental SmallMoleculeDrug DB03880 Batimastat Thumb 32.1%
3 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 31.7%
4 Experimental SmallMoleculeDrug DB07986 [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID Thumb 27.3%
5 Experimental SmallMoleculeDrug DB08271 N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID Thumb 24.6%
6 Approved;
Experimental		 SmallMoleculeDrug DB13615 Mifamurtide Thumb 23.5%
7 Experimental SmallMoleculeDrug DB04416 R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid Thumb 23.2%
8 Approved;
Investigational;
Nutraceutical		 SmallMoleculeDrug DB00167 L-Isoleucine Thumb 23.1%
9 Approved;
Investigational		 BiotechDrug DB12159 Dupilumab Thumb 22.9%
10 Approved;
Investigational		 SmallMoleculeDrug DB00640 Adenosine Thumb 22.7%
11 Experimental SmallMoleculeDrug DB01877 N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide Thumb 22.4%
12 Investigational SmallMoleculeDrug DB05078 AER001 Thumb 21.8%
13 Experimental SmallMoleculeDrug DB08030 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide Thumb 21.4%
14 Experimental SmallMoleculeDrug DB07988 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE Thumb 21.3%
15 Experimental SmallMoleculeDrug DB07720 Epibatidine Thumb 21.0%
16 Experimental SmallMoleculeDrug DB06945 N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide Thumb 20.8%
17 Experimental SmallMoleculeDrug DB04048 N-Carbamoyl-Alanine Thumb 20.8%
18 Experimental SmallMoleculeDrug DB03256 (6R)-Folinic acid Thumb 20.3%
19 Experimental SmallMoleculeDrug DB02350 N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide Thumb 20.3%
20 Approved;
Investigational;
Vet approved		 SmallMoleculeDrug DB01110 Miconazole Thumb 20.1%


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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.