Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 3/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.30 |
| ▸ | CLK1 | P49759 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL3846444 | 0.89 | CA12 (0.33) | KITPTGS1PTGS2TNFMAP4K4 | |
| SCHEMBL3845778 | 0.89 | MAP4K4 (0.32) | TNFMAP4K4 | |
| SCHEMBL3845843 | 0.89 | PTGS2 (0.35) | KITPTGS1PTGS2PIK3CDPIK3CA | |
| SCHEMBL3847982 | 0.87 | CLK1 (0.31) | CLK1MAP4K4PIK3CDPIK3CAPIK3CB | |
| SCHEMBL3851189 | 0.81 | CA12 (0.32) | MAP4K4 | |
| SCHEMBL3846708 | 0.81 | PTGS1 (0.34) | KITPTGS1PTGS2MAP4K4PIK3CA | |
| SCHEMBL3853047 | 0.80 | CA12 (0.32) | MAP4K4PIK3CDPIK3CAPIK3CBMTOR | |
| SCHEMBL3846459 | 0.80 | KIT (0.37) | KITCLK1MAP4K4 | |
| SCHEMBL3848223 | 0.80 | MAP4K4 (0.31) | MAP4K4 | |
| SCHEMBL3854489 | 0.77 | PTGS2 (0.35) | KITPTGS2MAP4K4PIK3CDPIK3CA |
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 |