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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 7/20 | 0.53 |
| ▸ | CHRNA4 known ✓ | P43681 | 7/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407545 | 0.88 | CHRNB2 (0.49) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL7474695 | 0.88 | CHRNB2 (0.49) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 | |
| SCHEMBL7457297 | 0.88 | CHRNB4 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3KDM4E | |
| Tebanicline SCHEMBL7417623 | 0.83 | CHRNA3 (0.67) | CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6 | |
| Tebanicline SCHEMBL29373633 | 0.83 | CHRNA3 (0.67) | CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6 | |
| SCHEMBL7406277 | 0.83 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL3224827 | 0.82 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2 | |
| SCHEMBL2437117 | 0.82 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA2 | |
| SCHEMBL7415131 | 0.81 | CHRNB2 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL7457303 | 0.81 | CHRNB2 (0.52) | CHRNB2CHRNA4KDM4ECYP1A2CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0950057-B1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | ABBOTT LAB (US) | 2002-11-13 | — | — | EP | disclosed |
| US-6403575-B1 | ANTI-INFLAMMATORIES | ABBOTT LABORATORIES | 2002-06-11 | — | — | US | disclosed |
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| US-6133253-A | NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES | ABBOTT LABORATORIES (US) | 2000-10-17 | — | — | US | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |