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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: P14780
No. Gene UniProt ID Protein Name Pathway PDB
1 MMP9 P14780 Matrix metalloproteinase-9 hsa01522; hsa04657; hsa04668; hsa04670; hsa04915; hsa04926; hsa05161; hsa05200; hsa05202; hsa05205; hsa05206; hsa05215; hsa05219; hsa05418 1GKC; 1GKD; 1ITV; 1L6J; 1LKG; 2OVX; 2OVZ; 2OW0; 2OW1; 2OW2; 4H1Q; 4H2E; 4H3X; 4H82; 4HMA; 4JIJ; 4JQG; 4WZV; 4XCT


13 known interactions (drugs) of input target (MMP9): Matrix metalloproteinase-9
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB01296 Glucosamine Thumb
2 Approved SmallMoleculeDrug DB01197 Captopril Thumb
3 Experimental SmallMoleculeDrug DB07246 (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE Thumb
4 Experimental SmallMoleculeDrug DB03683 2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid Thumb
5 Approved;
Investigational
SmallMoleculeDrug DB01593 Zinc Thumb
6 Experimental SmallMoleculeDrug DB01949 2-Amino-N,3,3-Trimethylbutanamide Thumb
7 Approved;
Investigational
SmallMoleculeDrug DB01017 Minocycline Thumb
8 Investigational SmallMoleculeDrug DB05495 PG-530742 Thumb
9 Investigational SmallMoleculeDrug DB05387 AE-941 Thumb
10 Experimental SmallMoleculeDrug DB07117 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE Thumb
11 Experimental SmallMoleculeDrug DB07285 (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID Thumb
12 Approved;
Investigational;
Nutraceutical
SmallMoleculeDrug DB00143 Glutathione Thumb
13 Approved;
Investigational
SmallMoleculeDrug DB00786 Marimastat Thumb


20 predicted interactions (drugs) of input target (MMP9): Matrix metalloproteinase-9
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image Confidence score
1 Approved;
Investigational
SmallMoleculeDrug DB09130 Copper Thumb 35.4%
2 Approved;
Nutraceutical
SmallMoleculeDrug DB00142 Glutamic Acid Thumb 31.0%
3 Experimental SmallMoleculeDrug DB03467 Naringenin Thumb 28.4%
4 Approved SmallMoleculeDrug DB03754 Tromethamine Thumb 27.2%
5 Investigational SmallMoleculeDrug DB05408 Emricasan Thumb 26.3%
6 Approved;
Experimental;
Investigational
SmallMoleculeDrug DB02772 Sucrose Thumb 25.9%
7 Approved;
Investigational;
Nutraceutical
SmallMoleculeDrug DB00114 Pyridoxal Phosphate Thumb 25.6%
8 Approved SmallMoleculeDrug DB00515 Cisplatin Thumb 25.4%
9 Approved;
Vet approved
SmallMoleculeDrug DB00396 Progesterone Thumb 24.4%
10 Experimental;
Investigational
SmallMoleculeDrug DB04216 Quercetin Thumb 23.4%
11 Experimental SmallMoleculeDrug DB08231 Myristic acid Thumb 22.8%
12 Experimental SmallMoleculeDrug DB08271 N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID Thumb 22.7%
13 Approved BiotechDrug DB00041 Aldesleukin Thumb 22.6%
14 Approved;
Vet approved
SmallMoleculeDrug DB00945 Acetylsalicylic acid Thumb 22.5%
15 Approved SmallMoleculeDrug DB05812 Abiraterone Thumb 21.6%
16 Experimental SmallMoleculeDrug DB03880 Batimastat Thumb 21.6%
17 Approved;
Investigational
SmallMoleculeDrug DB09462 Glycerin Thumb 21.3%
18 Experimental SmallMoleculeDrug DB02255 GM6001 Thumb 21.1%
19 Experimental;
Investigational
SmallMoleculeDrug DB03366 Imidazole Thumb 20.7%
20 Approved SmallMoleculeDrug DB00468 Quinine Thumb 20.6%



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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.