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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 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 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| Isoamylamine SCHEMBL16971287 | 0.91 | CYP2D6 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8981419 | 0.89 | CYP2C9 (0.48) | CYP2D6MAPK1CYP1A2CYP2C9CYP2C19 | |
| Putrescine SCHEMBL10842435 | 0.87 | CYP2C9 (0.49) | CYP2D6MAPK1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11546476 | 0.84 | CYP2C9 (0.49) | CYP2D6MAPK1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6910871 | 0.83 | MCHR1 (0.49) | CYP1A2CYP2C9ALDH1A1LMNATDP1 | |
| SCHEMBL11786735 | 0.83 | MCHR1 (0.49) | CYP1A2CYP2C9ALDH1A1LMNATDP1 | |
| Hexadecylamine SCHEMBL9058486 | 0.83 | MCHR1 (0.49) | CYP1A2CYP2C9ALDH1A1LMNATDP1 | |
| Decylamine SCHEMBL29134163 | 0.83 | MCHR1 (0.49) | CYP1A2CYP2C9ALDH1A1LMNATDP1 | |
| Octadecylamine SCHEMBL28750204 | 0.83 | MCHR1 (0.49) | CYP1A2CYP2C9ALDH1A1LMNATDP1 | |
| Dodecylamine SCHEMBL28101896 | 0.83 | MCHR1 (0.49) | CYP1A2CYP2C9ALDH1A1LMNATDP1 |
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-6613340-B2 | Substantive UV absorbing organic-soluble quaternary salts of cinnamidoalkylamine are described. Hair, skin and fabric care compositions containing the compounds of formula I. | GALAXY SURFACTANTS LTD. (IN) | 2003-09-02 | — | — | US | disclosed |