Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 18/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.51 |
| ▸ | RPA1 | P27694 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4058019 | 0.88 | SCN9A (0.64) | SCN9ACYP2C9CYP3A4CYP2D6KDM4E | |
| SCHEMBL13710359 | 0.84 | SCN9A (0.73) | SCN9ACYP2C9CYP3A4CYP2D6SCN10A | |
| SCHEMBL13710350 | 0.84 | SCN9A (0.60) | SCN9ACYP2C9CYP3A4CYP2D6SCN10A | |
| SCHEMBL13710694 | 0.83 | SCN9A (0.62) | SCN9ACYP2C9CYP3A4CYP2D6SCN10A | |
| SCHEMBL4489535 | 0.82 | SCN9A (0.60) | SCN9ACYP2C9CYP3A4CYP2D6RPA1 | |
| SCHEMBL20788274 | 0.82 | SCN9A (0.55) | SCN9ACYP2C9CYP3A4CYP2D6KDM4E | |
| SCHEMBL13710348 | 0.81 | SCN9A (0.57) | SCN9ACYP2C9CYP3A4CYP2D6SCN10A | |
| SCHEMBL13710698 | 0.79 | SCN9A (0.74) | SCN9ACYP2C9CYP3A4CYP2D6SCN10A | |
| SCHEMBL4505072 | 0.79 | SCN9A (1.00) | SCN9ASCN10A | |
| SCHEMBL13710646 | 0.79 | SCN9A (0.76) | SCN9ACYP2C9CYP3A4CYP2D6SCN10A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799241-A2 | COMBINATION THERAPY FOR THE TREATMENT OF OBESITY | Merck & Co., Inc. (US) | 2007-06-27 | — | — | EP | claimed |
| WO-2006036770-A2 | COMBINATION THERAPY FOR THE TREATMENT OF OBESITY | MERCK & CO., INC. (US) | 2006-04-06 | — | — | WO | claimed |
| EP-1615895-A4 | BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS | MERCK & CO INC (US) | 2007-11-07 | — | — | EP | disclosed |
| EP-1615895-A1 | BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004092140-A1 | BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2004-10-28 | — | — | WO | disclosed |