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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1742196 | 0.88 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| SCHEMBL2512720 | 0.88 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| SCHEMBL28515765 | 0.88 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| SCHEMBL28522161 | 0.88 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| SCHEMBL4344271 | 0.86 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| SCHEMBL2058122 | 0.86 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| SCHEMBL4333669 | 0.86 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| Propanol SCHEMBL28768546 | 0.82 | ALDH1A1 (0.49) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| Alcohol SCHEMBL282126 | 0.82 | GAA (0.52) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E | |
| Butane SCHEMBL27630383 | 0.82 | GAA (0.52) | ALDH1A1LMNASMN1; SMN2TDP1KDM4E |
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-0563104-A1 | PESTICIDAL COMPOUNDS | ROUSSEL UCLAF (FR) | 1993-10-06 | — | — | EP | disclosed |
| WO-1992011253-A1 | PESTICIDAL COMPOUNDS | ROUSSEL UCLAF (FR) | 1992-07-09 | — | — | WO | disclosed |