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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: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB00786
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00786 Marimastat Thumb


23 known interactions (targets) of input drug (DB00786): Marimastat
No. Gene UniProt ID Protein Name Pathway PDB
1 MMP2 P08253 72 kDa type IV collagenase hsa01522; hsa04670; hsa04912; hsa04915; hsa04926; hsa04933; hsa05200; hsa05205; hsa05219; hsa05418 1CK7; 1CXW; 1EAK; 1GEN; 1GXD; 1HOV; 1J7M; 1KS0; 1QIB; 1RTG; 3AYU
2 MMP20 O60882 Matrix metalloproteinase-20 NA 2JSD
3 MMP15 P51511 Matrix metalloproteinase-15 hsa04928 NA
4 MMP3 P08254 Stromelysin-1 hsa04657; hsa04668; hsa05202; hsa05215; hsa05323
5 MMP24 Q9Y5R2 Matrix metalloproteinase-24 hsa04928 NA
6 MMP1 P03956 Interstitial collagenase hsa03320; hsa04657; hsa04926; hsa05200; hsa05219; hsa05323 1AYK; 1CGE; 1CGF; 1CGL; 1HFC; 1SU3; 2AYK; 2CLT; 2J0T; 2TCL; 3AYK; 3SHI; 4AUO; 4AYK; 966C
7 MMP10 P09238 Stromelysin-2 NA 1Q3A; 3V96; 4ILW
8 MMP27 Q9H306 Matrix metalloproteinase-27 NA NA
9 MMP14 P50281 Matrix metalloproteinase-14 hsa04668; hsa04912; hsa04928 1BQQ; 1BUV; 2MQS; 3C7X; 3MA2; 3X23; 4P3C; 4P3D; 4QXU
10 MMP11 P24347 Stromelysin-3 NA NA
11 MMP23A O75900 Matrix metalloproteinase-23 NA NA
12 MMP19 Q99542 Matrix metalloproteinase-19 NA NA
13 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
14 MMP21 Q8N119 Matrix metalloproteinase-21 NA NA
15 MMP26 Q9NRE1 Matrix metalloproteinase-26 NA NA
16 MMP17 Q9ULZ9 Matrix metalloproteinase-17 hsa04928 NA
17 MMP13 P45452 Collagenase 3 hsa04657; hsa04926; hsa04928
18 MMP12 P39900 Macrophage metalloelastase NA
19 MMP7 P09237 Matrilysin hsa04310 1MMP; 1MMQ; 1MMR; 2DDY; 2MZE; 2MZH; 2Y6C; 2Y6D
20 MMP25 Q9NPA2 Matrix metalloproteinase-25 hsa04928 NA
21 MMP16 P51512 Matrix metalloproteinase-16 hsa04928; hsa05206 1RM8
22 MMP28 Q9H239 Matrix metalloproteinase-28 NA NA
23 MMP8 P22894 Neutrophil collagenase NA


20 predicted interactions (targets) of input drug (DB00786): Marimastat
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 36.2%
2 INSR P06213 Insulin receptor hsa04010; hsa04014; hsa04015; hsa04022; hsa04066; hsa04068; hsa04072; hsa04150; hsa04151; hsa04152; hsa04211; hsa04213; hsa04520; hsa04910; hsa04913; hsa04923; hsa04930; hsa04931; hsa04932; hsa04960 31.4%
3 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 31.1%
4 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 31.0%
5 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4 29.5%
6 HSD17B1 P14061 Estradiol 17-beta-dehydrogenase 1 hsa00140; hsa01100; hsa04913 29.2%
7 PGD P52209 6-phosphogluconate dehydrogenase, decarboxylating hsa00030; hsa00480; hsa01100; hsa01200 2JKV; 4GWG; 4GWK 27.9%
8 CACNG1 Q06432 Voltage-dependent calcium channel gamma-1 subunit hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 NA 26.8%
9 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 26.0%
10 BRAF P15056 Serine/threonine-protein kinase B-raf hsa01521; hsa01522; hsa04010; hsa04012; hsa04015; hsa04024; hsa04062; hsa04068; hsa04150; hsa04270; hsa04510; hsa04650; hsa04720; hsa04722; hsa04726; hsa04730; hsa04810; hsa04910; hsa04914; hsa04928; hsa04934; hsa05034; hsa05160; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226 25.7%
11 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 25.6%
12 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 25.5%
13 KYNU Q16719 Kynureninase hsa00380; hsa01100 2HZP; 3E9K 25.4%
14 UQCRC1 P31930 Cytochrome b-c1 complex subunit 1, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA 25.0%
15 ADAM28 Q9UKQ2 Disintegrin and metalloproteinase domain-containing protein 28 NA NA 24.9%
16 DHFR P00374 Dihydrofolate reductase hsa00670; hsa00790; hsa01100; hsa01523 24.6%
17 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 24.1%
18 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 23.8%
19 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 23.6%
20 DGAT2 Q96PD7 Diacylglycerol O-acyltransferase 2 hsa00561; hsa01100; hsa04975 NA 23.2%


  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.