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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CERT1 | Q9Y5P4 | 3/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10550537 | 0.84 | LMNA (0.53) | ALDH1A1KDM4ECERT1NAAALMNA | |
| SCHEMBL10808397 | 0.80 | LMNA (0.37) | ALDH1A1KDM4ECERT1NAAALMNA | |
| SCHEMBL10554124 | 0.79 | LMNA (0.37) | LMNAMCHR1APLNR | |
| SCHEMBL11079765 | 0.76 | SMN1; SMN2 (0.52) | CYP2D6ALDH1A1KDM4ENAAALMNA | |
| Octyldodecanol SCHEMBL9706887 | 0.74 | LMNA (0.64) | CYP2D6ALDH1A1KDM4ECYP1A2LMNA | |
| Hexane SCHEMBL7122950 | 0.74 | MCHR1 (0.53) | ALDH1A1KDM4ECYP2C19LMNAMCHR1 | |
| SCHEMBL28823866 | 0.73 | ALDH1A1 (0.55) | MAPK1ALDH1A1KDM4ELMNASMN1; SMN2 | |
| SCHEMBL3629471 | 0.72 | MCHR1 (0.44) | ALDH1A1KDM4ELMNAMCHR1SMN1; SMN2 | |
| SCHEMBL2058037 | 0.72 | CA2 (0.40) | CYP2D6MAPK1ALDH1A1KDM4ECYP1A2 | |
| Octane SCHEMBL8462698 | 0.72 | MCHR1 (0.56) | ALDH1A1KDM4ECYP2C19LMNAMCHR1 |
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-4818431-A | ELECTROOPTICAL DISPLAY ELEMENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-04-04 | — | — | US | disclosed |