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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28392382 | 0.88 | CYP2C19 (0.54) | CYP2C19L3MBTL1RAB9ANPC1ALDH1A1 | |
| SCHEMBL10382348 | 0.87 | CYP2C19 (0.57) | CYP2C19L3MBTL1RAB9ANPC1ALDH1A1 | |
| SCHEMBL28246351 | 0.82 | CYP2C19 (0.59) | CYP2C19L3MBTL1RAB9ANPC1ALDH1A1 | |
| SCHEMBL7955296 | 0.82 | CYP2C19 (0.59) | CYP2C19L3MBTL1RAB9ANPC1ALDH1A1 | |
| SCHEMBL9821069 | 0.79 | L3MBTL1 (0.46) | CYP2C19L3MBTL1RAB9ANPC1ALDH1A1 | |
| SCHEMBL56994 | 0.78 | TSHR (0.50) | CYP2C19KMT2APOLBTDP1MEN1 | |
| SCHEMBL28395206 | 0.78 | CYP2C19 (0.54) | CYP2C19L3MBTL1RAB9ANPC1ALDH1A1 | |
| SCHEMBL16930057 | 0.78 | CYP2C19 (0.51) | CYP2C19L3MBTL1RAB9ANPC1ALDH1A1 | |
| SCHEMBL31662422 | 0.78 | CYP2C19 (0.51) | CYP2C19L3MBTL1RAB9ANPC1ALDH1A1 | |
| SCHEMBL18114837 | 0.78 | CYP2C19 (0.49) | CYP2C19L3MBTL1ALDH1A1KMT2APOLB |
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-4885158-A | Heat stable quaternized lactams having oxylated sulfur anions | GAF CORPORATION (US) | 1989-12-05 | — | — | US | disclosed |