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 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10771841 | 0.91 | CYP2D6 (0.49) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL4671540 | 0.87 | AGER (0.47) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL7784433 | 0.87 | ALDH1A1 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL5245097 | 0.87 | ALDH1A1 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL10932843 | 0.87 | ALDH1A1 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| Propylene Glycol SCHEMBL5347252 | 0.87 | ALDH1A1 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| Butanol SCHEMBL7695797 | 0.87 | ALDH1A1 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| Propylene Glycol SCHEMBL27869488 | 0.87 | ALDH1A1 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| Butanol SCHEMBL7695800 | 0.87 | ALDH1A1 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL10482936 | 0.87 | ALDH1A1 (0.46) | CYP2D6MAPK1CYP1A2CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1218940-C | Nitric oxide synthase inhibitors | GLAXO GROUP LTD (GB) | 2005-09-14 | — | — | CN | disclosed |
| US-6495606-B1 | ADMINISTERING S-((R)-2-(1-IMINOETHYLAMINO)PROPYL)-L-CYSTEINE | SMITHKLINE BEECHAM CORPORATION | 2002-12-17 | — | — | US | disclosed |
| CN-1303367-A | Nitric oxide synthase inhibitors | GLAXO GROUP LTD (GB) | 2001-07-11 | — | — | CN | disclosed |