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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL10953009 | 0.81 | KEAP1 (0.56) | NPSR1C5AR1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL9875339 | 0.80 | KEAP1 (0.52) | LMNASMN1; SMN2ALDH1A1CA12CA9 | |
| SCHEMBL4556757 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP2C9NPSR1C5AR1LMNA | |
| SCHEMBL27279159 | 0.75 | SMN1; SMN2 (0.55) | NPSR1LMNAPKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL12614477 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2C9NPSR1LMNASMN1; SMN2 | |
| SCHEMBL12614478 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2C9NPSR1LMNASMN1; SMN2 | |
| SCHEMBL10347234 | 0.73 | CYP1A2 (0.44) | CYP1A2CYP2C9NPSR1LMNAPKM | |
| SCHEMBL10623683 | 0.73 | TDP1 (0.42) | CYP1A2CYP2C9NPSR1C5AR1LMNA | |
| SCHEMBL29400535 | 0.73 | GAA (0.41) | CYP1A2CYP2C9LMNAPKMALDH1A1 | |
| SCHEMBL27511288 | 0.73 | GAA (0.41) | CYP1A2CYP2C9LMNAPKMALDH1A1 |
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-2219600-A1 | TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF | STIEFEL LABORATORIES, INC. (US) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009067095-A1 | TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF | STIEFEL LABORATORIES, INC. (US) | 2009-05-28 | — | — | WO | disclosed |