Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.56 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.55 |
| ▸ | SCN5A | Q14524 | 4/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6224824 | 0.87 | ROCK1 (0.47) | ROCK1SCN9ASCN5AKCNH2HRH3 | |
| SCHEMBL6225535 | 0.86 | HRH3 (0.49) | ROCK1SCN9ASCN5AKCNH2HRH3 | |
| SCHEMBL10819391 | 0.82 | HRH3 (0.48) | SCN9ASCN5AHRH3 | |
| SCHEMBL1306480 | 0.80 | CARM1 (0.46) | ROCK1SCN9ASCN5AKCNH2 | |
| SCHEMBL17455980 | 0.80 | SMN1; SMN2 (0.58) | ROCK1SCN9ASCN5AKCNH2HRH3 | |
| SCHEMBL1307334 | 0.79 | EPHX2 (0.44) | HRH3 | |
| SCHEMBL13683393 | 0.79 | EPHX2 (0.44) | HRH3 | |
| SCHEMBL4111325 | 0.79 | SMN1; SMN2 (0.60) | ROCK1SCN9ASCN5AKCNH2HRH3 | |
| SCHEMBL4110851 | 0.79 | SCN9A (0.59) | ROCK1SCN9ASCN5AKCNH2HRH3 | |
| SCHEMBL4855546 | 0.79 | HRH3 (0.74) | ROCK1HRH3SMN1; SMN2GAAROCK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1841758-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | Pfizer Limited (GB) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006077496-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| US-5034401-A | Cardiovascular disorders or antiischemia agents | SYNTHELABO (FR) | 1991-07-23 | — | — | US | disclosed |