Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 2/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3847786 | 0.95 | CHRM4 (0.36) | CHRM4SYKCYP3A4HPGDMAPKAPK2 | |
| SCHEMBL3854358 | 0.89 | CHRM4 (0.41) | CHRM4SYKCYP3A4HPGDNCF1 | |
| SCHEMBL3846231 | 0.87 | MAPKAPK2 (0.46) | CYP3A4HPGDMAPKAPK2MEN1USP2 | |
| SCHEMBL3847996 | 0.87 | CHRM4 (0.43) | CHRM4SYKNCF1PIK3CAMTOR | |
| SCHEMBL3848141 | 0.87 | CYP3A4 (0.50) | SYKCYP3A4HPGDMTORALDH1A1 | |
| SCHEMBL3852758 | 0.86 | CHRM4 (0.42) | CHRM4CYP3A4HPGDPIK3CAMEN1 | |
| SCHEMBL3855874 | 0.86 | CHRM4 (0.39) | CHRM4CYP3A4HPGDPIK3CAHTR1A | |
| SCHEMBL3848729 | 0.86 | CHRM4 (0.34) | CHRM4SYKCYP3A4HPGDNCF1 | |
| SCHEMBL3847665 | 0.86 | CHRM4 (0.41) | CHRM4CYP3A4HPGDNCF1MAPKAPK2 | |
| SCHEMBL3850354 | 0.85 | NCF1 (0.48) | CYP3A4NCF1MTORALDH1A1CYP1A2 |
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 |