Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 7/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL7061308 | 0.70 | CHRNB4 (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 | |
| SCHEMBL11342468 | 0.68 | CHRNB4 (0.56) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL30070870 | 0.66 | HPGD (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL21483297 | 0.66 | HPGD (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL11378305 | 0.65 | ADRA1A (0.50) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL22820570 | 0.65 | CYP1A2 (0.41) | CHRNB4CHRNA3 | |
| SCHEMBL22485709 | 0.65 | CYP1A2 (0.41) | CHRNB4CHRNA3 | |
| SCHEMBL11341355 | 0.64 | CYP2D6 (0.52) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 | |
| SCHEMBL11379853 | 0.63 | CHRNB4 (0.62) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 | |
| SCHEMBL11341193 | 0.62 | CHRNB2 (0.56) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0874818-B1 | NOVEL SUBSTITUTED ARYL COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | MERCK & CO INC (US) | 2003-05-21 | — | — | EP | disclosed |
| US-6316490-B1 | FOR THERAPY OF PARKINSON'S DISEASE, ALZHEIMER'S DISEASE, DEMENTIA, CONTROLLING PAIN | MERCK & CO., INC. | 2001-11-13 | — | — | US | disclosed |
| EP-0874818-A1 | NOVEL SUBSTITUTED ARYL COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997019059-A1 | NOVEL SUBSTITUTED ARYL COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS | SIBIA NEUROSCIENCES, INC. (US) | 1997-05-29 | — | — | WO | disclosed |