Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3846598 | 0.89 | PIK3CA (0.33) | PIK3CAGRM4ACVR1CA12CA1 | |
| SCHEMBL3849386 | 0.87 | MAPK14 (0.37) | PIK3CAGRM4ACVR1 | |
| SCHEMBL3850069 | 0.84 | CA12 (0.43) | PIK3CAGRM4ACVR1CA12CA1 | |
| SCHEMBL3845927 | 0.83 | GRM4 (0.30) | GRM4 | |
| SCHEMBL3846586 | 0.80 | PIK3CA (0.39) | PIK3CAGRM4ACVR1TGFBR1 | |
| SCHEMBL3847856 | 0.80 | PIK3CA (0.44) | PIK3CAGRM4ACVR1 | |
| SCHEMBL3845916 | 0.78 | GRM4 (0.38) | PIK3CAGRM4ACVR1TGFBR1 | |
| SCHEMBL3846535 | 0.77 | PIK3CD (0.32) | PIK3CATGFBR1 | |
| SCHEMBL3846175 | 0.76 | TGFBR1 (0.31) | TGFBR1 | |
| SCHEMBL3845311 | 0.76 | ATM (0.38) | PIK3CAGRM4ACVR1TGFBR1 |
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 |