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 | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL1904190 | 0.91 | BCHE (0.54) | BCHEACHECYP2D6MAPK1ALDH1A1 | |
| SCHEMBL20853608 | 0.88 | ALDH1A1 (0.52) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| SCHEMBL8867741 | 0.87 | CYP2D6 (0.62) | BCHEACHECYP2D6MAPK1ALDH1A1 | |
| SCHEMBL8867724 | 0.87 | CYP2D6 (0.62) | BCHEACHECYP2D6MAPK1ALDH1A1 | |
| Isopropylamine SCHEMBL2350740 | 0.84 | CYP2D6 (0.53) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| SCHEMBL29618 | 0.84 | ALDH1A1 (0.56) | BCHEACHECYP2D6ALDH1A1TSHR | |
| Isopropylbenzene SCHEMBL4211335 | 0.83 | CYP2D6 (0.61) | BCHEACHECYP2D6MAPK1ALDH1A1 | |
| SCHEMBL1274859 | 0.82 | CYP2D6 (0.51) | CYP2D6MAPK1ALDH1A1TSHRNT5E | |
| Ammonia Solution, Strong SCHEMBL340601 | 0.82 | ALDH1A1 (0.54) | BCHEACHECYP2D6ALDH1A1TSHR | |
| SCHEMBL7044927 | 0.82 | ALDH1A1 (0.54) | BCHEACHECYP2D6ALDH1A1TSHR |
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-4313978-A | Antistatic compositions and treatment | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1982-02-02 | — | — | US | disclosed |