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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 known ✓ | P43681 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.77 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 8/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 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 | |
|---|---|---|---|---|
| SCHEMBL1790913 | 1.00 | KCNH2 (0.77) | KCNH2TGFBR1CHRNA7ACACBACACA | |
| SCHEMBL3182060 | 0.88 | KCNH2 (1.00) | KCNH2CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL928824 | 0.88 | KCNH2 (1.00) | KCNH2CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL18016317 | 0.88 | KCNH2 (1.00) | KCNH2CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL927736 | 0.88 | KCNH2 (1.00) | KCNH2CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL927738 | 0.88 | KCNH2 (1.00) | KCNH2CHRNA7CHRNB2CHRNA4 | |
| SCHEMBL4101582 | 0.85 | KCNH2 (0.54) | KCNH2TGFBR1CHRNA7ACACBACACA | |
| SCHEMBL4109790 | 0.81 | KCNH2 (0.48) | KCNH2TGFBR1CHRNA7 | |
| SCHEMBL4108857 | 0.78 | KCNH2 (0.45) | KCNH2 | |
| SCHEMBL928557 | 0.78 | KCNH2 (0.65) | KCNH2CHRNA7CHRNB2CHRNA4 |
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 |