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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5176619 | 1.00 | POLB (0.38) | POLBCYP1A2CYP2C9KEAP1NFE2L2 | |
| Acetone SCHEMBL3943343 | 0.84 | ALDH1A1 (0.43) | CYP1A2CYP2C9KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL4190453 | 0.83 | ALDH1A1 (0.46) | POLBCYP1A2CYP2C9ALDH1A1HTT | |
| SCHEMBL10940654 | 0.80 | CA12 (0.40) | CYP1A2CYP2C9KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL5176627 | 0.78 | ALDH1A1 (0.39) | POLBCYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL29886057 | 0.77 | LMNA (0.44) | POLBCYP1A2CYP2C9ALDH1A1HTT | |
| SCHEMBL5176624 | 0.76 | CYP1A2 (0.37) | POLBCYP1A2CYP2C9KEAP1NFE2L2 | |
| Acetonitrile SCHEMBL4629574 | 0.76 | GLA (0.45) | POLBCYP1A2CYP2C9ALDH1A1HTT | |
| Acetic Acid SCHEMBL443433 | 0.73 | SMN1; SMN2 (0.52) | POLBCYP1A2CYP2C9ALDH1A1HTT | |
| Oxalic Acid SCHEMBL7319784 | 0.73 | SMN1; SMN2 (0.52) | POLBCYP1A2CYP2C9ALDH1A1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1518908-B1 | Ink composition for electrostatic ink-jet recording and method of ink-jet recording | FUJIFILM CORP (JP) | 2007-05-30 | — | — | EP | disclosed |
| US-20050070630-A1 | Ink composition for electrostatic ink-jet recording and method of ink-jet recording | FUJI PHOTO FILM CO., LTD. | 2005-03-31 | — | — | US | disclosed |
| EP-1518908-A1 | Ink composition for electrostatic ink-jet recording and method of ink-jet recording | FUJI PHOTO FILM CO., LTD. (JP) | 2005-03-30 | — | — | EP | disclosed |