Table 2 Ten most significant small molecule drugs
Name | PubChem CID | Target | MOA | Score |
|---|---|---|---|---|
SB-216763 | 176,158 | GSK3B, CCNA2, CDK2, GSK3A | Glycogen synthase kinase inhibitor | − 98.08 |
ABT-751 | 3,035,714 | TUBB | Tubulin inhibitor | − 97.94 |
Vinorelbine | 73,707,424 | TUBB | Tubulin inhibitor | − 97.78 |
Etacrynic-acid | 3278 | SLC12A1, ATP1A1, SLC12A2 | Sodium/potassium/chloride transporter inhibitor | − 97.1 |
Entinostat | 4261 | HDAC1, HDAC2, HDAC3, HDAC9 | HDAC inhibitor | − 95.33 |
PTB1 | 24,857,885 | PTPN1 | AMPK activator | 99.08 |
Zonisamide | 5734 | CA1, CA12, CA7, SCN1A, CA10, CA11, CA13, CA14, CA2, CA3, CA4, CA5A, CA5B, CA6, CA8, CA9, CACNA1G, CACNA1H, CACNA1I, MAOA, MAOB, SCN11A, SCN1B, SCN2A, SCN2B, SCN3A, SCN3B, SCN4A, SCN4B, SCN5A, SCN9A | Sodium channel blocker, T-type calcium channel blocker | 95.23 |
NVP-AUY922 | 10,096,043 | HSP90AA1, HSP90AA2, HSP90AB1 | HSP inhibitor | 93.61 |
PP-2 | 4878 | SRC, LCK, ABL1, LYN, RIPK2 | SRC inhibitor | 93.03 |
Fostamatinib | 11,213,558 | SYK, FLT3, RET | SYK inhibitor | 92.89 |