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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 2/20 | 0.51 |
| ▸ | CHRNA4 known ✓ | P43681 | 2/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL925343 | 0.85 | CHRNB2 (0.67) | CHRNB2CHRNA7CHRNA4HRH4 | |
| SCHEMBL1792645 | 0.83 | CHRNA7 (0.50) | CHRNA7CYP2D6 | |
| SCHEMBL1795195 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA7CHRNA4CYP2D6MEN1 | |
| SCHEMBL1792840 | 0.82 | CHRNA7 (0.61) | CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL1797112 | 0.81 | CHRNB2 (0.54) | CHRNB2CHRNA7CHRNA4MEN1KMT2A | |
| SCHEMBL1802907 | 0.79 | CHRNB2 (0.38) | CHRNB2CHRNA7CHRNA4HRH4CYP2D6 | |
| SCHEMBL1792191 | 0.79 | CHRNB2 (0.52) | CHRNB2CHRNA7CHRNA4KMT2A | |
| SCHEMBL1791479 | 0.77 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL1795304 | 0.76 | ALDH1A1 (0.53) | CHRNB2CHRNA7CHRNA4KMT2A | |
| SCHEMBL6332374 | 0.76 | CHRNB2 (0.51) | CHRNB2CHRNA7CHRNA4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |