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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: DB03740
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03740 N-acetyl-alpha-D-glucosamine Thumb


5 known interactions (targets) of input drug (DB03740): N-acetyl-alpha-D-glucosamine
No. Gene UniProt ID Protein Name Pathway PDB
1 IGHG1 P01857 Ig gamma-1 chain C region NA
1AJ7; 1AQK; 1BEY; 1D5B; 1D5I; 1D6V; 1DFB; 1DN2; 1E4K; 1FC1; 1FC2; 1FCC; 1GAF; 1H3T; 1H3U; 1H3V; 1H3W; 1H3X; 1H3Y; 1HKL; 1HZH; 1I7Z; 1L6X; 1N7M; 1OP3; 1OQO; 1OQX; 1T83; 1T89; 1VGE; 2DTS; 2GJ7; 2I5Y; 2IWG; 2J6E; 2JB5; 2JB6; 2O5X; 2O5Y; 2O5Z; 2OSL; 2QAD; 2QL1; 2QQK; 2QQL; 2QQN; 2QR0; 2R56; 2RCJ; 2RCS; 2VXQ; 2WAH; 3AGV; 3AVE; 3AY4; 3B2U; 3B2V; 3BDY; 3BE1; 3BKY; 3BN9; 3BQU; 3C08; 3C09; 3C2S; 3CFJ; 3CFK; 3CSY; 3D0L; 3D0V; 3D6G; 3D85; 3DJ9; 3DNK; 3DO3; 3DRO; 3DRQ; 3DVG; 3DVN; 3EYF; 3EYO; 3EYQ; 3FJT; 3O11; 3RY6; 3S7G; 3SGJ; 3SGK; 3TV3; 3TWC; 3TYG; 3U0W; 3U7W; 3U7Y; 3V7M; 3V8C; 3V95; 3WJJ; 3WJL; 3WKN; 3WN5; 4ACP; 4B7I; 4BM7; 4BSV; 4BSW; 4BYH; 4CDH; 4D9Q; 4D9R; 4DAG; 4DZ8; 4EOW; 4J12; 4KU1; 4LLD; 4LLM; 4LLQ; 4N0U; 4NQS; 4NQT; 4NQU; 4NWT; 4NWU; 4O4Y; 4O51; 4Q6Y; 4Q74; 4Q7D; 4W4N; 4W4O; 4WI2; 4WI3; 4WI4; 4WI5; 4WI6; 4WI7; 4WI8; 4WI9; 4X4M; 4X98; 4X99; 4ZNE; 5BW7
2 ACE P12821 Angiotensin-converting enzyme hsa04614; hsa04924; hsa05142; hsa05410
3 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
4 SIGLEC7 Q9Y286 Sialic acid-binding Ig-like lectin 7 NA 1NKO; 1O7S; 1O7V; 2DF3; 2G5R; 2HRL
5 GBA P04062 Glucosylceramidase hsa00511; hsa00600; hsa01100; hsa04142


20 predicted interactions (targets) of input drug (DB03740): N-acetyl-alpha-D-glucosamine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 26.7%
2 GRIN3A Q8TCU5 Glutamate receptor ionotropic, NMDA 3A hsa04024; hsa04080; hsa04724; hsa05030; hsa05031; hsa05033; hsa05034 NA 21.4%
3 BCHE P06276 Cholinesterase NA 20.6%
4 TUBB1 Q9H4B7 Tubulin beta-1 chain hsa04145; hsa04540; hsa05130 NA 20.4%
5 BCL2 P10415 Apoptosis regulator Bcl-2 hsa01521; hsa01522; hsa01524; hsa04064; hsa04066; hsa04071; hsa04115; hsa04140; hsa04141; hsa04151; hsa04210; hsa04215; hsa04217; hsa04261; hsa04340; hsa04510; hsa04621; hsa04630; hsa04722; hsa04725; hsa04915; hsa04928; hsa04933; hsa05014; hsa05145; hsa05152; hsa05161; hsa05169; hsa05170; hsa05200; hsa05206; hsa05210; hsa05215; hsa05222; hsa05226; hsa05418 1G5M; 1GJH; 1YSW; 2O21; 2O22; 2O2F; 2W3L; 2XA0; 4AQ3; 4IEH; 4LVT; 4LXD; 4MAN; 5AGW; 5AGX 20.0%
6 GGPS1 O95749 Geranylgeranyl pyrophosphate synthase hsa00900; hsa01100 2Q80 19.9%
7 IGKC P01834 Ig kappa chain C region NA 19.7%
8 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 18.2%
9 GRIN1 Q05586 Glutamate receptor ionotropic, NMDA 1 hsa04014; hsa04015; hsa04020; hsa04024; hsa04080; hsa04713; hsa04720; hsa04724; hsa05010; hsa05014; hsa05016; hsa05030; hsa05031; hsa05033; hsa05034 2HQW; 2NR1; 3BYA 16.6%
10 HMGCR P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase hsa00900; hsa01100; hsa04152; hsa04976 16.6%
11 CSNK2A1 P68400 Casein kinase II subunit alpha hsa03008; hsa04064; hsa04137; hsa04310; hsa04520; hsa05162; hsa05168; hsa05169 16.3%
12 IGHG2 P01859 Ig gamma-2 chain C region NA 2QSC; 4HAF; 4HAG; 4L4J 16.0%
13 FHIT P49789 Bis(5'-adenosyl)-triphosphatase hsa00230; hsa05222; hsa05223 1FHI; 1FIT; 2FHI; 2FIT; 3FIT; 4FIT; 5FIT; 6FIT 16.0%
14 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA 15.9%
15 CAMK2A Q9UQM7 Calcium/calmodulin-dependent protein kinase type II subunit alpha hsa04012; hsa04020; hsa04024; hsa04066; hsa04114; hsa04217; hsa04261; hsa04310; hsa04360; hsa04713; hsa04720; hsa04722; hsa04725; hsa04728; hsa04740; hsa04750; hsa04911; hsa04912; hsa04916; hsa04921; hsa04922; hsa04925; hsa04934; hsa04971; hsa05031; hsa05152; hsa05200; hsa05205; hsa05214 2VZ6; 3SOA 15.9%
16 ITGAL P20701 Integrin alpha-L hsa04015; hsa04514; hsa04650; hsa04670; hsa04810; hsa05144; hsa05150; hsa05166; hsa05169; hsa05323; hsa05416 15.7%
17 HPGDS O60760 Hematopoietic prostaglandin D synthase hsa00480; hsa00590; hsa00980; hsa00982; hsa01100; hsa05204 15.6%
18 SERPINE1 P05121 Plasminogen activator inhibitor 1 hsa04066; hsa04115; hsa04218; hsa04371; hsa04390; hsa04610; hsa04933; hsa05142 15.4%
19 TUBB P07437 Tubulin beta chain hsa04145; hsa04540; hsa05130 3QNZ; 3QO0 15.4%
20 PLAUR Q03405 Urokinase plasminogen activator surface receptor hsa04610; hsa05205 1YWH; 2FD6; 2I9B; 3BT1; 3BT2; 3U73; 3U74; 4K24; 4QTI 15.3%


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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.