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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 6/20 | 0.37 |
| ▸ | CHRNA4 known ✓ | P43681 | 6/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL928058 | 0.85 | CHRNA7 (0.56) | CHRNA7CHRNB4CHRNA3HTR3ACHRNB2 | |
| SCHEMBL929002 | 0.81 | CHRNA7 (0.44) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| SCHEMBL1792911 | 0.79 | CHRNA7 (0.48) | CHRNA7HTR3ANPC1RAB9A | |
| SCHEMBL1792522 | 0.77 | CHRNA7 (0.47) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| SCHEMBL1793416 | 0.77 | CHRNA7 (0.47) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| SCHEMBL6329795 | 0.76 | CHRNA7 (0.53) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| SCHEMBL1791372 | 0.76 | CHRNA7 (0.52) | CHRNA7CHRNB4CHRNA3HTR3ANPC1 | |
| SCHEMBL652550 | 0.75 | CHRNB2 (0.70) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL1792172 | 0.75 | CHRNA7 (0.72) | CHRNA7 | |
| SCHEMBL652548 | 0.75 | CHRNB2 (0.70) | CHRNB4CHRNA3CHRNB2CHRNA4 |
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 |