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 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28354601 | 0.90 | CYP2D6 (0.39) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| SCHEMBL28351255 | 0.87 | MCHR1 (0.41) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| SCHEMBL8505195 | 0.84 | ALDH1A1 (0.47) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| SCHEMBL8745167 | 0.80 | ALDH1A1 (0.43) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| SCHEMBL757056 | 0.80 | GBA1 (0.53) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| SCHEMBL8178505 | 0.79 | ALDH1A1 (0.47) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| SCHEMBL29024318 | 0.79 | ALDH1A1 (0.47) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| Ethylamine SCHEMBL3808345 | 0.79 | ALDH1A1 (0.52) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| Tert-Butylamine SCHEMBL2724638 | 0.79 | ALDH1A1 (0.52) | CYP2D6MAPK1ALDH1A1LMNAKDM4E | |
| Propane SCHEMBL3563886 | 0.78 | GAA (0.54) | CYP2D6MAPK1ALDH1A1LMNAKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110759827-A | Method for preparing ethyl acetate by catalytic esterification | 江苏索普化工股份有限公司 | 2020-02-07 | — | — | CN | disclosed |
| US-20100296226-A1 | ELECTRIC DOUBLE LAYER CAPACITOR | SHOWA DENKO K.K. (JP) | 2010-11-25 | — | — | US | disclosed |