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 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9516199 | 0.85 | SMN1; SMN2 (0.53) | CYP2D6ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL20476016 | 0.84 | CYP2D6 (0.43) | CYP2D6ALDH1A1LMNAHTTKDM4E | |
| SCHEMBL9518579 | 0.83 | MCOLN3 (0.44) | ALDH1A1LMNAKDM4EMAPTTDP1 | |
| SCHEMBL4829444 | 0.83 | CYP2D6 (0.48) | CYP2D6ALDH1A1LMNAHTTKDM4E | |
| SCHEMBL5740867 | 0.83 | CYP2D6 (0.48) | CYP2D6ALDH1A1LMNAHTTKDM4E | |
| SCHEMBL2907496 | 0.82 | CYP2D6 (0.40) | CYP2D6ALDH1A1LMNAHTTKDM4E | |
| SCHEMBL9516850 | 0.82 | FBP1 (0.41) | ALDH1A1LMNAKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL15648920 | 0.81 | CYP2D6 (0.43) | CYP2D6ALDH1A1LMNAHTTKDM4E | |
| SCHEMBL11235327 | 0.80 | CYP2D6 (0.46) | CYP2D6ALDH1A1LMNAHTTKDM4E | |
| SCHEMBL3252492 | 0.79 | CRHBP (0.35) | ALDH1A1SMN1; SMN2CRHBPCRHR2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0252875-B1 | MICROBICIDAL AGENT | CIBA-GEIGY AG (CH) | 1993-01-27 | — | — | EP | claimed |
| EP-0252875-B1 | MICROBICIDAL AGENT | CIBA-GEIGY AG (CH) | 1993-01-27 | — | — | EP | disclosed |