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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3875739 | 0.81 | LMNA (0.52) | TDP1LMNAALDH1A1KDM4EMAPT | |
| SCHEMBL12479061 | 0.80 | ALDH1A1 (0.46) | TDP1LMNAALDH1A1KDM4EMAPT | |
| SCHEMBL2150215 | 0.80 | SMN1; SMN2 (0.52) | TDP1LMNAALDH1A1KDM4EMAPT | |
| Benzaldehyde SCHEMBL28065597 | 0.80 | SMN1; SMN2 (0.52) | CYP2A6TDP1LMNAALDH1A1KDM4E | |
| SCHEMBL28065596 | 0.80 | CYP2A6 (0.57) | CYP2A6TDP1LMNAALDH1A1KDM4E | |
| SCHEMBL226161 | 0.79 | TDP1 (0.64) | CYP2A6TDP1LMNAALDH1A1KDM4E | |
| SCHEMBL6847822 | 0.78 | CYP2A6 (0.41) | CYP2A6ALDH1A1KDM4ESMN1; SMN2MMP1 | |
| 4-Formylpyridine SCHEMBL28168365 | 0.78 | LMNA (0.49) | CYP2A6TDP1LMNAALDH1A1KDM4E | |
| Tetramethylammonium Ion SCHEMBL241921 | 0.77 | GAA (0.54) | TDP1LMNAALDH1A1KDM4EMAPT | |
| Water SCHEMBL2368741 | 0.77 | TDP1 (0.61) | CYP2A6TDP1LMNAALDH1A1KDM4E |
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-1300132-A2 | Agent for dyeing keratinous fibres | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-04-09 | — | — | EP | claimed |
| EP-1300132-A2 | Agent for dyeing keratinous fibres | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-04-09 | — | — | EP | disclosed |