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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GHSR | Q92847 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | EIF4E | P06730 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7535203 | 0.85 | SMN1; SMN2 (0.47) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7530975 | 0.78 | CYP1A2 (0.46) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7800614 | 0.74 | GHSR (0.43) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7803412 | 0.72 | TP53 (0.46) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14813096 | 0.72 | GHSR (0.49) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14813094 | 0.70 | CYP1A2 (0.49) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Sulfuric Acid SCHEMBL7804578 | 0.70 | TP53 (0.45) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7534201 | 0.70 | CYP1A2 (0.62) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12377461 | 0.69 | CYP1A2 (0.74) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14813234 | 0.67 | CYP1A2 (0.63) | TP53CYP1A2CYP3A4CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1010094-A4 | COMPOUND SCREENING SYSTEM | COMMW SCIENT IND RES ORG (AU) | 2001-03-07 | — | — | EP | disclosed |
| EP-1010094-A1 | COMPOUND SCREENING SYSTEM | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999012118-A1 | COMPOUND SCREENING SYSTEM | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1999-03-11 | — | — | WO | disclosed |