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 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL9854867 | 0.82 | IDO1 (0.40) | CYP2D6CYP1A2CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL9854869 | 0.82 | IDO1 (0.40) | CYP2D6CYP1A2CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL9855215 | 0.82 | IDO1 (0.40) | CYP2D6CYP1A2CYP2C9CYP3A4SMN1; SMN2 | |
| Phenethylamine SCHEMBL11784088 | 0.75 | HTR6 (0.56) | CYP2D6MAPK1ACHEBCHEALDH1A1 | |
| Benzylamine SCHEMBL5820436 | 0.74 | BCHE (0.54) | CYP2D6MAPK1ACHEBCHEKMT2A | |
| L-Phenylalaninol SCHEMBL10520919 | 0.74 | CYP2D6 (0.50) | CYP2D6MAPK1ACHEBCHEKMT2A | |
| Benzylamine SCHEMBL29166910 | 0.73 | BCHE (0.53) | CYP2D6MAPK1ACHEBCHEKMT2A | |
| Benzyl Carbamimidothioate SCHEMBL1303111 | 0.73 | CYP2D6 (0.63) | CYP2D6MAPK1ACHEBCHEKMT2A | |
| Benzyl Alcohol SCHEMBL1870759 | 0.73 | TSHR (0.52) | CYP2D6MAPK1ACHEBCHEKMT2A | |
| Benzyl Carbamimidothioate SCHEMBL27933719 | 0.72 | CYP2D6 (0.61) | CYP2D6MAPK1ACHEBCHEKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5071843-A | Thienamycin antibiotics with delayed metabolism | MERCK & CO., INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0161546-B1 | COMBINATION OF 2-SUBSTITUTED CARBAPENEMS WITH DIPEPTIDASE INHIBITORS | MERCK & CO. INC. (US) | 1989-12-13 | — | — | EP | disclosed |
| EP-0161546-A1 | Combination of 2-substituted carbapenems with dipeptidase inhibitors | MERCK & CO. INC. (US) | 1985-11-21 | — | — | EP | disclosed |