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 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL888150 | 0.83 | HTR2A (0.44) | CYP2D6CYP1A2 | |
| SCHEMBL10544587 | 0.75 | TAAR1 (0.58) | UTS2RCYP1A2CYP2C19BCHEACHE | |
| SCHEMBL6316951 | 0.72 | CYP1A2 (0.50) | CYP2D6MAPK1CYP1A2CYP2C19GAA | |
| SCHEMBL10531180 | 0.72 | CNR2 (0.41) | CYP2D6MAPK1UTS2RCYP1A2CYP2C19 | |
| SCHEMBL5530229 | 0.72 | MCHR1 (0.56) | CYP1A2CYP2C19BCHEACHECNR2 | |
| SCHEMBL10903328 | 0.71 | GAA (0.52) | CYP2D6MAPK1CYP1A2CYP2C19GAA | |
| SCHEMBL17179999 | 0.71 | SIGMAR1 (0.62) | CYP1A2CYP2C19CA2CNR2CA12 | |
| SCHEMBL8973710 | 0.70 | CA12 (0.40) | CYP2D6MAPK1CYP1A2CYP2C19BCHE | |
| SCHEMBL10530378 | 0.70 | CNR2 (0.47) | UTS2RCYP1A2CYP2C19CA2CNR2 | |
| Captamine SCHEMBL28718149 | 0.69 | ALOX15 (0.50) | CYP2D6MAPK1CYP1A2CYP2C19GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5548077-A | REACTING WITH CARBOHYDRATE COMPOUND TO FORM SCHIFF BASE, REDUCING SCHIFF BASE | SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1996-08-20 | — | — | US | disclosed |
| US-5386033-A | 2-aminopyridine compounds | SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) | 1995-01-31 | — | — | US | disclosed |