Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.44 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | MLNR | O43193 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7061352 | 0.79 | CHRM3 (0.48) | CHRM3 | |
| SCHEMBL194099 | 0.79 | CHRNB4 (0.45) | CHRM3ADRA1AHRH1KCNH2HRH3 | |
| SCHEMBL12314795 | 0.79 | CHRNB4 (0.45) | CHRM3ADRA1AHRH1KCNH2HRH3 | |
| SCHEMBL7061296 | 0.79 | HTR6 (0.49) | SIGMAR1CHRM3HTR6DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL6333252 | 0.78 | ESRRG (0.44) | CHRM3HTR6ADRA1AHRH1KCNH2 | |
| SCHEMBL7061173 | 0.77 | CHRNB4 (0.46) | — | |
| SCHEMBL7161658 | 0.76 | CHRNB2 (0.45) | — | |
| SCHEMBL7061308 | 0.75 | CHRNB4 (0.44) | SIGMAR1CHRM3HTR6DRD2HTR2A | |
| SCHEMBL9515929 | 0.70 | TDP1 (0.45) | TP53CYP3A4TSHR | |
| SCHEMBL9242412 | 0.69 | CHRNB4 (0.65) | — |
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-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 |