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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6310355 | 0.89 | CYP1A2 (0.40) | ALDH1A1L3MBTL1LMNAALBCYP2C9 | |
| SCHEMBL17870952 | 0.83 | NPSR1 (0.41) | ALDH1A1L3MBTL1LMNAALBCYP2C9 | |
| SCHEMBL2771666 | 0.76 | MCHR1 (0.43) | ALDH1A1L3MBTL1LMNAALBCYP2C9 | |
| SCHEMBL17870956 | 0.75 | ALDH1A1 (0.42) | ALDH1A1LMNAALBCYP2C9TSHR | |
| SCHEMBL2860170 | 0.73 | CA12 (0.52) | ALDH1A1LMNAALBCYP2C9TSHR | |
| SCHEMBL2773070 | 0.73 | EPHX1 (0.42) | HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3391961 | 0.70 | LMNA (0.46) | ALDH1A1L3MBTL1LMNAALBCYP2C9 | |
| SCHEMBL28073685 | 0.70 | EPHX1 (0.53) | NAAA | |
| SCHEMBL19467928 | 0.70 | HDAC3 (0.36) | L3MBTL1LMNAHDAC3HDAC1HDAC2 | |
| Dodecane SCHEMBL7126605 | 0.70 | MCHR1 (0.56) | ALDH1A1L3MBTL1LMNAALBCYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2775992-A1 | COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR | L'Oréal (FR) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013071194-A1 | COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR | L'OREAL (FR) | 2013-05-16 | — | — | WO | disclosed |