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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 10/20 | 0.51 |
| ▸ | CHRNA4 known ✓ | P43681 | 10/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 8/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7411561 | 1.00 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| Tebanicline SCHEMBL29373633 | 0.85 | CHRNA3 (0.67) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| Tebanicline SCHEMBL7417623 | 0.85 | CHRNA3 (0.67) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL7416257 | 0.83 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL7416252 | 0.83 | CHRNB2 (0.69) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL7465166 | 0.82 | KDM1A (0.46) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL7462728 | 0.82 | KDM1A (0.46) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL7407924 | 0.82 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL7408463 | 0.79 | CHRNA3 (0.52) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7 | |
| SCHEMBL7474736 | 0.76 | ALDH1A1 (0.42) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNB1 |
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 |