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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | LIPE | Q05469 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PIR | O00625 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3458384 | 0.83 | TDP1 (0.55) | LMNAALDH1A1KDM4EHPGDCYP1A2 | |
| SCHEMBL5136455 | 0.77 | LMNA (0.54) | LMNAALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL2578523 | 0.75 | SGMS2 (0.54) | LMNAALDH1A1KDM4EHPGDRECQL | |
| SCHEMBL10903328 | 0.74 | GAA (0.52) | LMNAALDH1A1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL23209991 | 0.74 | LMNA (0.48) | LMNAALDH1A1KDM4EHPGDRECQL | |
| SCHEMBL1670578 | 0.73 | LMNA (0.54) | LMNAALDH1A1CYP1A2MAPTCYP2C9 | |
| SCHEMBL719791 | 0.73 | LMNA (0.54) | LMNAALDH1A1CYP1A2MAPTCYP2C9 | |
| SCHEMBL716770 | 0.73 | LMNA (0.54) | LMNAALDH1A1CYP1A2MAPTCYP2C9 | |
| SCHEMBL1826103 | 0.73 | LMNA (0.55) | LMNAALDH1A1CYP1A2CYP2C19MAPT | |
| SCHEMBL7758366 | 0.73 | LMNA (0.51) | LMNAALDH1A1KDM4ERECQLCYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995011226-A1 | SUBSTITUTED BENZENE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND BIOCIDAL COMPOSITION FOR CONTROL OF HARMFUL ORGANISMS CONTAINING THEM | ISHIHARA SANGYO KAISHA LTD. (JP) | 1995-04-27 | — | — | WO | disclosed |