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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL9504553 | 0.90 | CHRM2 (0.66) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| Bromide SCHEMBL9147626 | 0.84 | CHRM2 (0.88) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL17180043 | 0.84 | HTT (0.47) | CHRM2CYP2C19 | |
| SCHEMBL2150494 | 0.84 | HTT (0.47) | CHRM2CYP2C19 | |
| Didecyldimethylammonium SCHEMBL2149720 | 0.84 | HTT (0.47) | CHRM2CYP2C19 | |
| SCHEMBL28031257 | 0.82 | DNM1 (0.50) | CHRM2CYP2C19 | |
| SCHEMBL9151027 | 0.81 | CHRM2 (0.78) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL13073061 | 0.80 | CHRM2 (1.00) | CHRM2MEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL10585984 | 0.80 | MMP2 (0.45) | CHRM2MEN1KMT2A | |
| Mecetronium SCHEMBL2150398 | 0.79 | DNM1 (0.50) | MEN1CYP2C19KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5015676-A | Cationic ammonium compounds or imine cations | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-14 | — | — | US | disclosed |
| EP-0154740-B1 | TONER COMPOSITIONS | XEROX CORPORATION (US) | 1988-02-03 | — | — | EP | disclosed |
| EP-0154740-A1 | Toner compositions | XEROX CORPORATION (US) | 1985-09-18 | — | — | EP | disclosed |
| US-4493883-A | Electrophotographic toner compositions containing novel imide charge control _additives | XEROX CORPORATION (US) | 1985-01-15 | — | — | US | disclosed |