Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexadecylamine. 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 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | DNM1 | Q05193 | 4/20 | 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 | |
|---|---|---|---|---|
| Decylamine SCHEMBL29134163 | 0.91 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| Dodecylamine SCHEMBL28101896 | 0.91 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| Octadecylamine SCHEMBL28750204 | 0.91 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| SCHEMBL6910871 | 0.91 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| SCHEMBL11786735 | 0.91 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| Hexadecylamine SCHEMBL9058486 | 0.91 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| Decylamine SCHEMBL17289256 | 0.90 | MCHR1 (0.48) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| Hexadecylamine SCHEMBL6678352 | 0.90 | MCHR1 (0.48) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| SCHEMBL27927799 | 0.90 | MCHR1 (0.46) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 | |
| SCHEMBL7528406 | 0.90 | ALDH1A1 (0.44) | MCHR1ALDH1A1CYP2C9CYP1A2L3MBTL1 |
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-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | disclosed |
| US-5516878-A | CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD | TEIJIN LIMITED (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0667366-A2 | Process for the production of aromatic polycarbonate | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |