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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11546476 | 0.86 | CYP2C9 (0.49) | CA12CA2CA9CYP1A2CYP2C9 | |
| Putrescine SCHEMBL10842435 | 0.86 | CYP2C9 (0.49) | CA12CA2CA9CYP1A2CYP2C9 | |
| SCHEMBL28780748 | 0.85 | CA12 (0.58) | CA12CA2CA9ALOX15CYP1A2 | |
| SCHEMBL8981419 | 0.84 | CYP2C9 (0.48) | CA12CA2CA9CYP1A2CYP2C9 | |
| SCHEMBL25430629 | 0.84 | CA12 (0.53) | CA12CA2CA9ALOX15CYP1A2 | |
| SCHEMBL28402844 | 0.84 | MCHR1 (0.55) | CA12CA2CA9ALOX15CYP1A2 | |
| SCHEMBL16166017 | 0.83 | MCHR1 (0.57) | CA12CA2CA9ALOX15CYP1A2 | |
| SCHEMBL10586091 | 0.83 | MCHR1 (0.57) | CA12CA2CA9ALOX15CYP1A2 | |
| SCHEMBL5135589 | 0.83 | MCHR1 (0.57) | CA12CA2CA9ALOX15CYP1A2 | |
| Dymanthine SCHEMBL9193253 | 0.83 | MCHR1 (0.57) | CA12CA2CA9ALOX15CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113194913-B | Fragrance gel | 莱雅公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-113194722-B | Antimicrobial mixtures containing 4- (3-ethoxy-4-hydroxyphenyl) butan-2-one and 4-hydroxyacetophenone, and compositions containing the same | 莱雅公司 | 2023-05-05 | — | — | CN | disclosed |