Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.30 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.30 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3847788 | 0.96 | CYP8B1 (0.32) | CHRM4SYKCYP3A4HPGDRPS6KB1 | |
| SCHEMBL3854363 | 0.91 | CHRM4 (0.35) | CHRM4GRIA1PIK3CAMTORNCF1 | |
| SCHEMBL3846233 | 0.90 | MAPKAPK2 (0.40) | CYP3A4HPGDMAPKAPK2 | |
| SCHEMBL3847998 | 0.89 | CHRM4 (0.38) | CHRM4GRIA1PIK3CACYP8B1 | |
| SCHEMBL3847495 | 0.88 | CYP2C19 (0.38) | SYKCYP3A4MAPKAPK2PIK3CAMTOR | |
| SCHEMBL3850600 | 0.88 | NCF1 (0.41) | CYP3A4MTORNCF1 | |
| SCHEMBL3847449 | 0.86 | CHRM4 (0.33) | CHRM4GRIA1CYP8B1 | |
| SCHEMBL3848728 | 0.86 | CHRM4 (0.39) | CHRM4SYKCYP3A4HPGDRPS6KB1 | |
| SCHEMBL3845803 | 0.85 | CTSS (0.33) | MAPKAPK2PIK3CA | |
| SCHEMBL3850114 | 0.85 | MEN1 (0.35) | CYP3A4HPGDMTORCYP8B1 |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |