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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: DB05767
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Investigational SmallMoleculeDrug DB05767 Andrographolide Thumb

5 known interactions (targets) of input drug (DB05767): Andrographolide
No. Gene UniProt ID Protein Name Pathway PDB
1 IL1B P01584 Interleukin-1 beta hsa01523; hsa04010; hsa04060; hsa04064; hsa04217; hsa04380; hsa04620; hsa04621; hsa04623; hsa04625; hsa04640; hsa04657; hsa04659; hsa04668; hsa04750; hsa04932; hsa04933; hsa04940; hsa05010; hsa05020; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05146; hsa05152; hsa05162; hsa05163; hsa05164; hsa05168; hsa05321; hsa05323; hsa05332; hsa05418
2 NFKB2 Q00653 Nuclear factor NF-kappa-B p100 subunit hsa04010; hsa04064; hsa04380; hsa04625; hsa05134; hsa05166; hsa05169; hsa05200; hsa05203; hsa05224 1A3Q; 2D96; 3DO7; 4OT9
3 NFKB1 P19838 Nuclear factor NF-kappa-B p105 subunit hsa01523; hsa04010; hsa04014; hsa04024; hsa04062; hsa04064; hsa04066; hsa04071; hsa04151; hsa04210; hsa04211; hsa04218; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04722; hsa04917; hsa04920; hsa04926; hsa04931; hsa04932; hsa04933; hsa05030; hsa05120; hsa05131; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05162; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05202; hsa05203; hsa05206; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05321; hsa05418 1MDI; 1MDJ; 1MDK; 1NFI; 1SVC; 2DBF; 2O61; 3GUT
4 TNF P01375 Tumor necrosis factor hsa01523; hsa04010; hsa04060; hsa04064; hsa04071; hsa04150; hsa04210; hsa04217; hsa04350; hsa04380; hsa04612; hsa04620; hsa04621; hsa04622; hsa04625; hsa04640; hsa04650; hsa04657; hsa04660; hsa04664; hsa04668; hsa04920; hsa04930; hsa04931; hsa04932; hsa04933; hsa04940; hsa05010; hsa05014; hsa05133; hsa05134; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05166; hsa05168; hsa05170; hsa05205; hsa05310; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05410; hsa05414; hsa05418 1A8M; 1TNF; 2AZ5; 2E7A; 2TUN; 2ZJC; 2ZPX; 3ALQ; 3IT8; 3L9J; 3WD5; 4G3Y; 4TSV; 4TWT; 5TSW
5 IL6 P05231 Interleukin-6 hsa01521; hsa01523; hsa04060; hsa04066; hsa04068; hsa04151; hsa04218; hsa04620; hsa04621; hsa04623; hsa04625; hsa04630; hsa04640; hsa04657; hsa04659; hsa04668; hsa04672; hsa04931; hsa04932; hsa04933; hsa05020; hsa05132; hsa05133; hsa05134; hsa05142; hsa05143; hsa05144; hsa05146; hsa05152; hsa05161; hsa05162; hsa05163; hsa05164; hsa05166; hsa05167; hsa05168; hsa05200; hsa05202; hsa05321; hsa05323; hsa05332; hsa05410 1ALU; 1IL6; 1N2Q; 1P9M; 2IL6; 4CNI; 4J4L; 4NI7; 4NI9; 4O9H

20 predicted interactions (targets) of input drug (DB05767): Andrographolide
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 EGFR P00533 Epidermal growth factor receptor hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04020; hsa04066; hsa04068; hsa04072; hsa04144; hsa04151; hsa04510; hsa04520; hsa04540; hsa04630; hsa04810; hsa04912; hsa04915; hsa04921; hsa04926; hsa04928; hsa04934; hsa05120; hsa05160; hsa05163; hsa05165; hsa05200; hsa05205; hsa05206; hsa05210; hsa05212; hsa05213; hsa05214; hsa05215; hsa05218; hsa05219; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 33.9%
2 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 30.7%
3 IFNG P01579 Interferon gamma hsa03050; hsa04060; hsa04066; hsa04217; hsa04350; hsa04380; hsa04612; hsa04630; hsa04650; hsa04657; hsa04658; hsa04659; hsa04660; hsa04940; hsa05132; hsa05140; hsa05142; hsa05143; hsa05144; hsa05145; hsa05146; hsa05152; hsa05162; hsa05164; hsa05168; hsa05169; hsa05200; hsa05321; hsa05322; hsa05323; hsa05330; hsa05332; hsa05418 1EKU; 1FG9; 1FYH; 1HIG; 3BES 29.6%
4 CASP3 P42574 Caspase-3 hsa01524; hsa04010; hsa04115; hsa04210; hsa04215; hsa04650; hsa04657; hsa04668; hsa04726; hsa04932; hsa04933; hsa05010; hsa05012; hsa05014; hsa05016; hsa05120; hsa05133; hsa05134; hsa05145; hsa05146; hsa05152; hsa05161; hsa05163; hsa05165; hsa05167; hsa05168; hsa05170; hsa05200; hsa05203; hsa05205; hsa05206; hsa05210; hsa05222; hsa05416 27.4%
5 ALOX5 P09917 Arachidonate 5-lipoxygenase hsa00590; hsa01100; hsa04664; hsa04726; hsa04913; hsa05145 2ABV; 3O8Y; 3V92; 3V98; 3V99 25.7%
6 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 25.2%
7 CRBN Q96SW2 Protein cereblon NA 4M91; 4TZ4 23.7%
8 IL2 P60568 Interleukin-2 hsa04060; hsa04151; hsa04625; hsa04630; hsa04658; hsa04659; hsa04660; hsa04672; hsa04940; hsa05142; hsa05162; hsa05166; hsa05200; hsa05320; hsa05321; hsa05330; hsa05332 22.1%
9 NGF P01138 Beta-nerve growth factor hsa04010; hsa04014; hsa04015; hsa04060; hsa04151; hsa04210; hsa04722; hsa04750 1SG1; 1WWW; 2IFG; 4EDW; 4EDX; 4ZBN 22.1%
10 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 20.8%
11 HMGB1 P09429 High mobility group protein B1 hsa03410; hsa04140; hsa04217 2LY4; 2RTU; 2YRQ 20.5%
12 CSF2RA P15509 Granulocyte-macrophage colony-stimulating factor receptor subunit alpha hsa04060; hsa04630; hsa04640; hsa05200 4NKQ; 4RS1 20.3%
13 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 20.3%
14 FGFR2 P21802 Fibroblast growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04144; hsa04151; hsa04550; hsa04810; hsa05200; hsa05215; hsa05226; hsa05230 19.7%
15 ERBB2 P04626 Receptor tyrosine-protein kinase erbB-2 hsa01521; hsa01522; hsa01524; hsa04010; hsa04012; hsa04020; hsa04066; hsa04151; hsa04510; hsa04520; hsa04530; hsa05200; hsa05205; hsa05206; hsa05212; hsa05213; hsa05215; hsa05219; hsa05223; hsa05224; hsa05226; hsa05230 19.4%
16 EDNRA P25101 Endothelin-1 receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04270; hsa04924; hsa05200 NA 19.3%
17 CYSLTR1 Q9Y271 Cysteinyl leukotriene receptor 1 hsa04020; hsa04080 NA 19.3%
18 TGFB1 P01137 Transforming growth factor beta-1 hsa04010; hsa04060; hsa04068; hsa04110; hsa04218; hsa04350; hsa04380; hsa04390; hsa04659; hsa04672; hsa04926; hsa04932; hsa04933; hsa05140; hsa05142; hsa05144; hsa05145; hsa05146; hsa05152; hsa05161; hsa05166; hsa05200; hsa05205; hsa05210; hsa05211; hsa05212; hsa05220; hsa05225; hsa05226; hsa05321; hsa05323; hsa05410; hsa05414 1KLA; 1KLC; 1KLD; 3KFD; 4KV5 19.1%
19 PREP P48147 Prolyl endopeptidase hsa04614 3DDU 18.4%
20 MAP2K2 P36507 Dual specificity mitogen-activated protein kinase kinase 2 hsa01521; hsa01522; hsa04010; hsa04012; hsa04014; hsa04015; hsa04022; hsa04024; hsa04066; hsa04068; hsa04071; hsa04072; hsa04140; hsa04150; hsa04151; hsa04210; hsa04218; hsa04270; hsa04370; hsa04371; hsa04540; hsa04550; hsa04620; hsa04650; hsa04660; hsa04662; hsa04664; hsa04720; hsa04722; hsa04730; hsa04810; hsa04910; hsa04912; hsa04915; hsa04916; hsa04917; hsa04919; hsa04921; hsa04926; hsa04934; hsa05020; hsa05161; hsa05163; hsa05164; hsa05165; hsa05167; hsa05170; hsa05200; hsa05205; hsa05206; hsa05210; hsa05211; hsa05213; hsa05214; hsa05215; hsa05216; hsa05218; hsa05219; hsa05220; hsa05221; hsa05223; hsa05224; hsa05225; hsa05226; hsa05230; hsa05231 1S9I; 4H3Q 18.4%


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.


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.