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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28246351 | 0.88 | CYP2C19 (0.59) | CYP2C19L3MBTL1PKMALDH1A1NPC1 | |
| SCHEMBL10382348 | 0.87 | CYP2C19 (0.57) | CYP2C19L3MBTL1PKMALDH1A1NPC1 | |
| SCHEMBL28395206 | 0.83 | CYP2C19 (0.54) | CYP2C19L3MBTL1PKMALDH1A1NPC1 | |
| SCHEMBL28392382 | 0.83 | CYP2C19 (0.54) | CYP2C19L3MBTL1ALDH1A1NPC1RAB9A | |
| SCHEMBL10528237 | 0.82 | CYP2C19 (0.53) | CYP2C19L3MBTL1ALDH1A1NPC1RAB9A | |
| SCHEMBL18114837 | 0.80 | CYP2C19 (0.49) | CYP2C19L3MBTL1PKMALDH1A1HSD17B10 | |
| Methylpyrrolidone SCHEMBL9336610 | 0.80 | BRD4 (0.55) | CYP2C19L3MBTL1PKMALDH1A1MEN1 | |
| SCHEMBL30197568 | 0.77 | ALDH1A1 (0.49) | CYP2C19L3MBTL1PKMALDH1A1GAA | |
| SCHEMBL477750 | 0.77 | — | — | |
| SCHEMBL28219390 | 0.77 | L3MBTL1 (0.55) | CYP2C19L3MBTL1PKMALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6187083-B1 | INK COMPOSITION COMPRISING SELECTED INK VEHICLE, AMIDE VISCOSITY MODIFIER, CONDUCTIVE SULFONATE SALT ALL HAVING MELTING POINTS WITHIN SPECIFIED RANGE, COLORANT, OPTIONAL ANTIOXIDANT AND ULTRAVIOLET ABSORBER | XEROX CORPORATION | 2001-02-13 | — | — | US | claimed |