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 | 1/20 | 0.35 |
| ▸ | CHRNA4 known ✓ | P43681 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | BPTF | Q12830 | 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 | |
|---|---|---|---|---|
| SCHEMBL927817 | 0.86 | CHRNA7 (0.59) | CHRNA7CHRNB2CHRNA4CSNK1DMAPK11 | |
| SCHEMBL928384 | 0.80 | CHRNA7 (0.41) | CHRNA7ALDH1A1MEN1CYP1A2CYP2C9 | |
| SCHEMBL6322920 | 0.76 | CHRNB2 (0.50) | CHRNA7ALDH1A1MEN1CYP1A2CYP2C9 | |
| SCHEMBL928611 | 0.76 | HSD11B1 (0.38) | CHRNA7ALDH1A1MEN1CYP1A2CYP2C9 | |
| SCHEMBL929128 | 0.74 | FAAH (0.50) | ALDH1A1MEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL928150 | 0.74 | KMT2A (0.53) | ALDH1A1MEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL929654 | 0.74 | HSD11B1 (0.41) | CHRNA7ALDH1A1HSD11B1CHRNB2CHRNA4 | |
| SCHEMBL6329795 | 0.73 | CHRNA7 (0.53) | CHRNA7 | |
| SCHEMBL928163 | 0.73 | CHRNA7 (0.60) | CHRNA7CHRNB2CHRNA4CSNK1DMAPK14 | |
| SCHEMBL1793367 | 0.73 | CHRNA7 (0.49) | CHRNA7TP53 |
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 |