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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: DB00989
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Investigational		 SmallMoleculeDrug DB00989 Rivastigmine Thumb


2 known interactions (targets) of input drug (DB00989): Rivastigmine
No. Gene UniProt ID Protein Name Pathway PDB
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
2 BCHE P06276 Cholinesterase NA


20 predicted interactions (targets) of input drug (DB00989): Rivastigmine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 21.4%
2 CHRNA7 P36544 Neuronal acetylcholine receptor subunit alpha-7 NA 2MAW; 5AFH; 5AFJ; 5AFK; 5AFL; 5AFM; 5AFN 18.3%
3 MAOB P27338 Amine oxidase [flavin-containing] B hsa00260; hsa00330; hsa00340; hsa00350; hsa00360; hsa00380; hsa00982; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 17.4%
4 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA 16.8%
5 PCYT1A P49585 Choline-phosphate cytidylyltransferase A hsa00440; hsa00564; hsa01100; hsa05231 NA 16.6%
6 PLD1 Q13393 Phospholipase D1 hsa00564; hsa00565; hsa01100; hsa04014; hsa04024; hsa04071; hsa04072; hsa04144; hsa04666; hsa04724; hsa04912; hsa04928; hsa05200; hsa05212; hsa05231 NA 15.1%
7 HMGCR P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase hsa00900; hsa01100; hsa04152; hsa04976 13.3%
8 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 12.7%
9 PCYT1B Q9Y5K3 Choline-phosphate cytidylyltransferase B hsa00440; hsa00564; hsa01100; hsa05231 NA 12.6%
10 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 12.4%
11 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH 12.4%
12 PHOSPHO1 Q8TCT1 Phosphoethanolamine/phosphocholine phosphatase hsa00564; hsa01100 NA 12.1%
13 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 12.1%
14 PLD2 O14939 Phospholipase D2 hsa00564; hsa00565; hsa01100; hsa04014; hsa04024; hsa04071; hsa04072; hsa04144; hsa04666; hsa04724; hsa04912; hsa04928; hsa05231 NA 12.0%
15 WARS P23381 Tryptophan--tRNA ligase, cytoplasmic hsa00970 1O5T; 1R6T; 1R6U; 1ULH; 2AKE; 2AZX; 2DR2; 2QUH; 2QUI; 2QUJ; 2QUK 11.8%
16 TPSAB1 Q15661 Tryptase alpha/beta-1 NA 1LTO; 2F9N; 2F9O; 2F9P; 2ZEB; 2ZEC; 4A6L; 4MPU; 4MPV; 4MPW; 4MPX; 4MQA 11.6%
17 PAPOLA P51003 Poly(A) polymerase alpha hsa03015 NA 11.4%
18 AKR1B1 P15121 Aldose reductase hsa00040; hsa00051; hsa00052; hsa00561; hsa00790; hsa01100
1ABN; 1ADS; 1AZ1; 1AZ2; 1EF3; 1EL3; 1IEI; 1MAR; 1PWL; 1PWM; 1T40; 1T41; 1US0; 1X96; 1X97; 1X98; 1XGD; 1Z3N; 1Z89; 1Z8A; 2ACQ; 2ACR; 2ACS; 2ACU; 2AGT; 2DUX; 2DUZ; 2DV0; 2F2K; 2FZ8; 2FZ9; 2FZB; 2FZD; 2HV5; 2HVN; 2HVO; 2I16; 2I17; 2IKG; 2IKH; 2IKI; 2IKJ; 2INE; 2INZ; 2IPW; 2IQ0; 2IQD; 2IS7; 2ISF; 2J8T; 2NVC; 2NVD; 2PD5; 2PD9; 2PDB; 2PDC; 2PDF; 2PDG; 2PDH; 2PDI; 2PDJ; 2PDK; 2PDL; 2PDM; 2PDN; 2PDP; 2PDQ; 2PDU; 2PDW; 2PDX; 2PDY; 2PEV; 2PF8; 2PFH; 2PZN; 2QXW; 2R24; 3BCJ; 3DN5; 3G5E; 3GHR; 3GHS; 3GHT; 3GHU; 3LBO; 3LD5; 3LEN; 3LEP; 3LQG; 3LQL; 3LZ3; 3LZ5; 3M0I; 3M4H; 3M64; 3MB9; 3MC5; 3ONB; 3ONC; 3P2V; 3Q65; 3Q67; 3RX2; 3RX3; 3RX4; 3S3G; 3T42; 3U2C; 3V35; 3V36; 4GCA; 4GQ0; 4IGS; 4JIR; 4LAU; 4LAZ; 4LB3; 4LB4; 4LBR; 4LBS; 4NKC; 4PR4; 4PRR; 4PRT; 4PUU; 4PUW; 4Q7B; 4QBX; 4QR6; 4QX4; 4QXI; 4RPQ; 4XZH; 4XZI
 10.5%
19 ARL3 P36405 ADP-ribosylation factor-like protein 3 NA NA 10.5%
20 AURKA O14965 Aurora kinase A hsa04114; hsa04914 10.4%


  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.