Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 6/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.43 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL194099 | 0.79 | CHRNB4 (0.45) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 | |
| SCHEMBL12314795 | 0.79 | CHRNB4 (0.45) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 | |
| Hydrochloric Acid SCHEMBL6333252 | 0.78 | ESRRG (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 | |
| SCHEMBL7062275 | 0.75 | SIGMAR1 (0.44) | CHRM3DRD2HTR2AHTR6HTR7 | |
| SCHEMBL7062935 | 0.70 | CHRNB4 (0.44) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 | |
| SCHEMBL7061296 | 0.70 | HTR6 (0.49) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM3 | |
| SCHEMBL7161658 | 0.68 | CHRNB2 (0.45) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL14082480 | 0.68 | DRD1 (0.39) | CHRNA7DRD2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4873500 | 0.68 | DRD1 (0.39) | CHRNA7DRD2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11725428 | 0.66 | HSD17B10 (0.46) | CYP3A4TSHR |
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 |