Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.31 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 4/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3855590 | 0.94 | LMNA (0.35) | PIK3CAMTORMAP4K4CYP3A4CYP1A2 | |
| SCHEMBL3849620 | 0.94 | MAPK14 (0.30) | PIK3CDPIK3CAPIK3CBMTORPIK3CG | |
| SCHEMBL3846871 | 0.93 | THRB (0.33) | — | |
| SCHEMBL3850510 | 0.93 | CYP3A4 (0.31) | MAP4K4AKT1CYP3A4HPGD | |
| SCHEMBL3848458 | 0.93 | PTGS2 (0.39) | — | |
| SCHEMBL3850272 | 0.93 | PTGS2 (0.39) | — | |
| SCHEMBL3850674 | 0.92 | AURKB (0.31) | CYP3A4CYP1A2CYP2C19ALDH1A1CYP2D6 | |
| SCHEMBL3847629 | 0.88 | CSNK1D (0.33) | AKT1 | |
| SCHEMBL3854491 | 0.87 | KIT (0.30) | — | |
| SCHEMBL3857010 | 0.87 | CYP3A4 (0.30) | CYP3A4HPGD |
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 |