Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
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 | 0.85 | CHRNB4 (0.45) | CHRM3ADRA1AHRH1KCNH2HRH3 | |
| SCHEMBL7161658 | 0.85 | CHRNB2 (0.45) | CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL12314795 | 0.85 | CHRNB4 (0.45) | CHRM3ADRA1AHRH1KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL6333252 | 0.84 | ESRRG (0.44) | HTR6CHRM3ADRA1AHRH1KCNH2 | |
| SCHEMBL7160856 | 0.79 | ADRA2A (0.47) | ADRA2ACHRNB2CHRNA7CHRNA4CHRNB4 | |
| SCHEMBL7062275 | 0.79 | SIGMAR1 (0.44) | HTR6ADRA2ACHRM3SLC22A1MLNR | |
| SCHEMBL29174508 | 0.78 | HTR6 (0.52) | HTR6ADRA2ACHRM3SLC22A1MLNR | |
| SCHEMBL11466241 | 0.78 | SLC2A1 (0.60) | HTR6ADRA2ACHRM3SLC22A1MLNR | |
| SCHEMBL7061352 | 0.76 | CHRM3 (0.48) | CHRM3 | |
| SCHEMBL12931702 | 0.76 | ACKR3 (0.53) | CHRM3CHRNB2CHRNA5CHRNA7CHRNA4 |
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 |