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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 2/20 | 0.52 |
| ▸ | CHRNA4 known ✓ | P43681 | 2/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.52 |
| ▸ | MET | P08581 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL927479 | 0.89 | CHRNB2 (0.65) | CHRNB2CHRNA7CHRNA4METMAPT | |
| SCHEMBL1792840 | 0.87 | CHRNA7 (0.61) | CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL1797112 | 0.83 | CHRNB2 (0.54) | CHRNB2CHRNA7CHRNA4ALDH1A1MAPT | |
| SCHEMBL1792193 | 0.81 | CHRNB2 (0.39) | CHRNB2CHRNA7CHRNA4METALDH1A1 | |
| SCHEMBL1795195 | 0.79 | CHRNB2 (0.51) | CHRNB2CHRNA7CHRNA4ALDH1A1KMT2A | |
| SCHEMBL1802902 | 0.79 | CHRNB2 (0.51) | CHRNB2CHRNA7CHRNA4KMT2A | |
| SCHEMBL929602 | 0.76 | CHRNA7 (0.74) | CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL6332374 | 0.76 | CHRNB2 (0.51) | CHRNB2CHRNA7CHRNA4ALDH1A1MAPK1 | |
| SCHEMBL1795304 | 0.76 | ALDH1A1 (0.53) | CHRNB2CHRNA7CHRNA4ALDH1A1MAPT | |
| SCHEMBL1791479 | 0.75 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4ALDH1A1MAPT |
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 |