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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 known ✓ | P43681 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407891 | 0.82 | KDM4E (0.36) | ALDH1A1CYP2D6POLBKDM4ELMNA | |
| SCHEMBL3662113 | 0.82 | CHRNA3 (0.51) | CHRNA3CHRNB1CHRNB2CHRNB4CHRNA4 | |
| Hydrochloric Acid SCHEMBL7674172 | 0.81 | CHRNA3 (0.50) | CYP2D6CHRNA3CHRNB1CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL7663501 | 0.81 | CHRNA3 (0.50) | CYP2D6CHRNA3CHRNB1CHRNB2CHRNB4 | |
| SCHEMBL7462908 | 0.79 | CHRNA3 (0.51) | CHRNA3CHRNB1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL7407615 | 0.78 | ALDH1A1 (0.34) | ALDH1A1CYP2D6POLBHRH3KDM4E | |
| SCHEMBL5175765 | 0.78 | SMN1; SMN2 (0.40) | ALDH1A1CYP2D6KDM4ELMNAMAPT | |
| SCHEMBL7408463 | 0.77 | CHRNA3 (0.52) | CHRNA3CHRNB1CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL7411564 | 0.76 | CHRNB2 (0.51) | ALDH1A1CYP2D6CHRNA3CHRNB1CHRNB2 | |
| Tebanicline SCHEMBL7417623 | 0.76 | CHRNA3 (0.67) | CYP2D6CHRNA3CHRNB2CHRNB4CHRNA4 |
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 3 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 |
| US-6133253-A | NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES | ABBOTT LABORATORIES (US) | 2000-10-17 | — | — | US | disclosed |