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 | 3/20 | 0.52 |
| ▸ | CHRNA4 known ✓ | P43681 | 3/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.52 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB3 | Q05901 | 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 | |
|---|---|---|---|---|
| Tebanicline SCHEMBL7417623 | 0.89 | CHRNA3 (0.67) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 | |
| Tebanicline SCHEMBL29373633 | 0.89 | CHRNA3 (0.67) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL7417656 | 0.83 | CHRNB2 (0.73) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL7417197 | 0.79 | CHRNA3 (0.41) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL7411564 | 0.79 | CHRNB2 (0.51) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL7411561 | 0.79 | CHRNB2 (0.51) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL7465166 | 0.78 | KDM1A (0.46) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL7462728 | 0.78 | KDM1A (0.46) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL7474736 | 0.77 | ALDH1A1 (0.42) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| SCHEMBL7417092 | 0.77 | CHRNB2 (0.48) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |