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 | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.61 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL593014 | 0.94 | MCHR1 (0.68) | MCHR1CNR2ALDH1A1KCNH2SERPINE1 | |
| SCHEMBL29163226 | 0.94 | MCHR1 (0.68) | MCHR1CNR2ALDH1A1KCNH2SERPINE1 | |
| SCHEMBL9785001 | 0.92 | MCHR1 (0.53) | MCHR1CNR2ALDH1A1KCNH2SERPINE1 | |
| SCHEMBL9785013 | 0.92 | MCHR1 (0.53) | MCHR1CNR2ALDH1A1KCNH2SERPINE1 | |
| Acetic Acid SCHEMBL10583302 | 0.89 | MCHR1 (0.61) | MCHR1CNR2ALDH1A1KCNH2SERPINE1 | |
| SCHEMBL5874555 | 0.88 | MCHR1 (0.58) | MCHR1CNR2ALDH1A1KCNH2CYP2C9 | |
| Trolamine SCHEMBL1275169 | 0.88 | ALDH1A1 (0.45) | MCHR1ALDH1A1CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL10712649 | 0.87 | MCHR1 (0.52) | MCHR1CNR2ALDH1A1SERPINE1CYP2C9 | |
| Cetostearyl Alcohol SCHEMBL2194656 | 0.85 | MCHR1 (0.50) | MCHR1CNR2ALDH1A1CYP2C9CYP3A4 | |
| Octanol SCHEMBL27906975 | 0.85 | MCHR1 (0.50) | MCHR1CNR2ALDH1A1CYP2C9CYP3A4 |
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-5110835-A | Coated with hydroxyl-containing quaternary ammonium salt | BASF AKTIENGESELLSCHAFT (DE) | 1992-05-05 | — | — | US | disclosed |