Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 3/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL3854489 | 0.89 | PTGS2 (0.35) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL3850069 | 0.88 | CA12 (0.43) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL3853751 | 0.87 | CA12 (0.40) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL3849386 | 0.85 | MAPK14 (0.37) | PIK3CAMAPK14CSNK1DCSNK1EACVR1 | |
| SCHEMBL3850001 | 0.85 | CA12 (0.33) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL3846708 | 0.82 | PTGS1 (0.34) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL3854275 | 0.82 | CYP3A4 (0.33) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL3846261 | 0.81 | CA12 (0.34) | CA12CA1CA2CA9PIK3CA | |
| SCHEMBL3846696 | 0.81 | KIT (0.35) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL3846935 | 0.81 | KIT (0.34) | CA12CA1CA2CA9PTGS2 |
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 |