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 | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 known ✓ | P43681 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL928196 | 0.87 | CHRNA7 (0.58) | ALDH1A1CHRNB2CHRNA7CHRNA4TSHR | |
| SCHEMBL1797112 | 0.80 | CHRNB2 (0.54) | ALDH1A1LMNAHTTSMN1; SMN2MAPT | |
| SCHEMBL1792840 | 0.79 | CHRNA7 (0.61) | ALDH1A1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL1791479 | 0.78 | CHRNB2 (0.47) | ALDH1A1LMNAHTTSMN1; SMN2MAPT | |
| SCHEMBL1792191 | 0.76 | CHRNB2 (0.52) | ALDH1A1LMNASMN1; SMN2MAPTTDP1 | |
| SCHEMBL1795195 | 0.76 | CHRNB2 (0.51) | ALDH1A1CHRNB2CHRNA7CHRNA4ALOX15 | |
| SCHEMBL1802902 | 0.76 | CHRNB2 (0.51) | CHRNB2CHRNA7CHRNA4KMT2A | |
| SCHEMBL928903 | 0.74 | CHRNB2 (0.58) | CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL1791680 | 0.73 | CYP11B1 (0.44) | CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL6332374 | 0.73 | CHRNB2 (0.51) | ALDH1A1SMN1; SMN2L3MBTL1CHRNB2CHRNA7 |
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 |