Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 9/20 | 0.37 |
| ▸ | TOP1 | P11387 | 6/20 | 0.37 |
| ▸ | TOP2B | Q02880 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2919763 | 0.93 | CYP3A4 (0.55) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| SCHEMBL2915537 | 0.93 | CYP3A4 (0.59) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| SCHEMBL2918028 | 0.92 | CYP3A4 (0.62) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL2923148 | 0.91 | CYP3A4 (0.62) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| SCHEMBL3531334 | 0.89 | CYP3A4 (0.47) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| Fumaric Acid SCHEMBL2916343 | 0.88 | CYP3A4 (0.58) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| Maleic Acid SCHEMBL2916339 | 0.88 | CYP3A4 (0.58) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| SCHEMBL2922324 | 0.86 | CYP3A4 (0.60) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| SCHEMBL2915100 | 0.85 | CYP3A4 (0.63) | CYP3A4CYP2C9HPGDHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL2922393 | 0.84 | CYP3A4 (0.62) | CYP3A4CYP2C9HPGDHSD17B10KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713997-B2 | Pyridonecarboxylic acid derivatives or salts thereof | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2010-05-11 | — | — | US | claimed |