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 | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL9495788 | 0.95 | DNM1 (0.49) | CNR2DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL11131195 | 0.89 | KCNH2 (0.60) | CNR2DNM1MAPK1HTTKCNH2 | |
| SCHEMBL11133523 | 0.89 | KCNH2 (0.60) | CNR2DNM1MAPK1HTTKCNH2 | |
| SCHEMBL11134789 | 0.89 | HTT (0.60) | CNR2DNM1MEN1KMT2AMAPK1 | |
| Benzododecinium SCHEMBL2149522 | 0.89 | DNM1 (0.65) | CNR2DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL2150486 | 0.89 | DNM1 (0.65) | CNR2DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL2149596 | 0.89 | DNM1 (0.65) | CNR2DNM1MEN1KMT2AMAPK1 | |
| SCHEMBL2150494 | 0.88 | HTT (0.47) | DNM1HTTKCNH2LMNAHIF1A | |
| SCHEMBL17180043 | 0.88 | HTT (0.47) | DNM1HTTKCNH2LMNAHIF1A | |
| Didecyldimethylammonium SCHEMBL2149720 | 0.88 | HTT (0.47) | DNM1HTTKCNH2LMNAHIF1A |
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-4395410-A | Quaternary ammonium antiarrhythmic drugs | ELI LILLY AND COMPANY (US) | 1983-07-26 | — | — | US | disclosed |
| EP-0002604-B1 | QUATERNARY AMMONIUM SALTS, AND THEIR FORMULATIONS AND PREPARATION | ELI LILLY AND COMPANY (US) | 1983-05-04 | — | — | EP | disclosed |
| US-4289787-A | PROLONG ACTION POTENTIAL OF CARDIAC TISSUE | ELI LILLY AND COMPANY (US) | 1981-09-15 | — | — | US | disclosed |
| EP-0002604-A1 | Quaternary ammonium salts, and their formulations and preparation | ELI LILLY AND COMPANY (US) | 1979-06-27 | — | — | EP | disclosed |