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 | 8/20 | 0.48 |
| ▸ | CHRNA4 known ✓ | P43681 | 5/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.48 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.48 |
| ▸ | CHRNB3 | Q05901 | 4/20 | 0.48 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | PRKCG | P05129 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.44 |
| ▸ | STK3 | Q13188 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408434 | 1.00 | CHRNB2 (0.48) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 | |
| SCHEMBL7414122 | 0.88 | CHRNA3 (0.49) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 | |
| SCHEMBL7824581 | 0.86 | CHRNB2 (0.55) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 | |
| SCHEMBL7826372 | 0.86 | CHRNB2 (0.55) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 | |
| SCHEMBL7406493 | 0.84 | CHRNA3 (0.53) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 | |
| SCHEMBL7458438 | 0.84 | CHRNA3 (0.53) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 | |
| SCHEMBL7828958 | 0.80 | CHRNB2 (0.66) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 | |
| SCHEMBL7826660 | 0.80 | CHRNB2 (0.66) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 | |
| SCHEMBL7407615 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL1793870 | 0.76 | CHRNA3 (0.48) | CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3 |
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 |