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 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 SCHEMBL17289256 | 1.00 | MCHR1 (0.48) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| SCHEMBL11786735 | 0.98 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| SCHEMBL6910871 | 0.98 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| Dodecylamine SCHEMBL28101896 | 0.98 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| Octadecylamine SCHEMBL28750204 | 0.98 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| Hexadecylamine SCHEMBL9058486 | 0.98 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| Decylamine SCHEMBL29134163 | 0.98 | MCHR1 (0.49) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| SCHEMBL27927799 | 0.97 | MCHR1 (0.46) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| Butylamine SCHEMBL1934217 | 0.92 | CYP2C9 (0.46) | MCHR1ALDH1A1CYP2C9L3MBTL1CYP1A2 | |
| SCHEMBL8981419 | 0.92 | CYP2C9 (0.48) | ALDH1A1CYP2C9L3MBTL1CYP1A2TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711997-B1 | Electrochemical surface analysis using deoxygenated gel electrolyte | ROCKWELL INTERNATIONAL CORP (US) | 2004-11-10 | — | — | EP | claimed |
| US-6214210-B1 | QUANTITATIVE ANALYSIS OF SURFACE OXIDES | ROCKWELL TECHNOLOGIES, LLC | 2001-04-10 | — | — | US | claimed |
| EP-0711997-A2 | Electrochemical surface analysis using deoxygenated gel electrolyte | ROCKWELL INTERNATIONAL CORPORATION (US) | 1996-05-15 | — | — | EP | claimed |
| EP-0711997-B1 | Electrochemical surface analysis using deoxygenated gel electrolyte | ROCKWELL INTERNATIONAL CORP (US) | 2004-11-10 | — | — | EP | disclosed |
| US-6214210-B1 | QUANTITATIVE ANALYSIS OF SURFACE OXIDES | ROCKWELL TECHNOLOGIES, LLC | 2001-04-10 | — | — | US | disclosed |
| EP-0711997-A2 | Electrochemical surface analysis using deoxygenated gel electrolyte | ROCKWELL INTERNATIONAL CORPORATION (US) | 1996-05-15 | — | — | EP | disclosed |