Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.36 |
| ▸ | GPR6 | P46095 | 7/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.34 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3855874 | 0.95 | CHRM4 (0.39) | CHRM4PIK3CAGPR119 | |
| SCHEMBL3855583 | 0.89 | GPR119 (0.41) | CHRM4PIK3CAGPR6GPR119CYP8B1 | |
| SCHEMBL3852739 | 0.88 | CHRM4 (0.43) | CHRM4PIK3CAGPR6CYP8B1 | |
| SCHEMBL3852758 | 0.86 | CHRM4 (0.42) | CHRM4PIK3CAGPR119CYP8B1 | |
| SCHEMBL3848219 | 0.85 | CHRM4 (0.40) | CHRM4PIK3CAGPR119CYP8B1 | |
| SCHEMBL3851336 | 0.84 | GPR6 (0.39) | CHRM4GPR6 | |
| SCHEMBL3848728 | 0.83 | CHRM4 (0.39) | CHRM4PIK3CACYP8B1MTOR | |
| Hydrochloric Acid SCHEMBL3849314 | 0.83 | CHRM4 (0.46) | CHRM4PIK3CAGPR6GPR119CYP8B1 | |
| SCHEMBL3852574 | 0.82 | CHRM4 (0.41) | CHRM4PIK3CAPIK3CDPIK3CBMTOR | |
| SCHEMBL3847786 | 0.81 | CHRM4 (0.36) | CHRM4CYP8B1 |
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-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 |