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 | |
|---|---|---|---|---|
| ▸ | HHAT | Q5VTY9 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | PRCP | P42785 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA7 | P43166 | 6/20 | 0.47 |
| ▸ | CA9 | Q16790 | 6/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.47 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.47 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4631728 | 0.92 | HHAT (0.52) | HHATCYP2D6PRCPCA12CA1 | |
| SCHEMBL4632573 | 0.88 | HHAT (0.59) | HHATCYP2D6PRCPCHRM3CACNA1F | |
| SCHEMBL4632577 | 0.85 | HHAT (0.57) | HHATCYP2D6PRCPCHRM3CACNA1F | |
| SCHEMBL4250247 | 0.85 | HHAT (0.60) | HHATCYP2D6PRCPCHRM3CACNA1F | |
| SCHEMBL698295 | 0.85 | HHAT (0.60) | HHATCYP2D6PRCPCHRM3CACNA1F | |
| SCHEMBL1122195 | 0.85 | HHAT (0.60) | HHATCYP2D6PRCPCHRM3CACNA1F | |
| SCHEMBL12226990 | 0.85 | HHAT (0.60) | HHATCYP2D6PRCPCHRM3CACNA1F | |
| SCHEMBL23406272 | 0.84 | HHAT (0.50) | HHATCYP2D6PRCPCA12CA1 | |
| SCHEMBL4631725 | 0.84 | CA12 (0.48) | HHATCYP2D6CA12CA1CA2 | |
| Bromide SCHEMBL4631703 | 0.84 | HHAT (0.58) | HHATCYP2D6PRCPCHRM3CACNA1F |
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 |
|---|---|---|---|---|---|---|---|
| EP-1700858-B1 | Salts of a quinuclidine derivative as muscarinic M3 receptor antagonists | ASTELLAS PHARMA INC (JP) | 2008-05-28 | — | — | EP | claimed |
| EP-1700858-A1 | Salts of a quinuclidine derivative as muscarinic M3 receptor antagonists | Astellas Pharma Inc. (JP) | 2006-09-13 | — | — | EP | claimed |
| EP-1700858-B1 | Salts of a quinuclidine derivative as muscarinic M3 receptor antagonists | ASTELLAS PHARMA INC (JP) | 2008-05-28 | — | — | EP | disclosed |
| EP-1700858-A1 | Salts of a quinuclidine derivative as muscarinic M3 receptor antagonists | Astellas Pharma Inc. (JP) | 2006-09-13 | — | — | EP | disclosed |