Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 4/20 | 0.48 |
| ▸ | SMO | Q99835 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 5/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3849396 | 0.86 | AKT1 (0.50) | AKT1PDGFRBCYP2C19CYP3A4CYP1A2 | |
| SCHEMBL3856169 | 0.82 | PDGFRB (0.43) | AKT1KITPDGFRBCYP2C19CYP3A4 | |
| SCHEMBL3849265 | 0.82 | CYP3A4 (0.56) | CYP2C19CYP3A4CYP1A2CLK4LMNA | |
| SCHEMBL3848419 | 0.81 | CYP3A4 (0.63) | CYP2C19CYP3A4CYP1A2CLK4LMNA | |
| SCHEMBL3848700 | 0.80 | CYP3A4 (0.48) | PDGFRBCYP2C19CYP3A4CYP1A2CLK4 | |
| SCHEMBL3845114 | 0.80 | CYP3A4 (0.52) | PDGFRBCYP2C19CYP3A4CYP1A2CLK4 | |
| SCHEMBL3852755 | 0.80 | AKT1 (0.70) | AKT1SMOPDGFRBCYP3A4CYP1A2 | |
| SCHEMBL3849819 | 0.80 | ACHE (0.50) | PDGFRBCYP2C19CYP3A4CYP1A2CLK4 | |
| SCHEMBL3846990 | 0.78 | ACHE (0.54) | CYP2C19CYP3A4CYP1A2CLK4LMNA | |
| SCHEMBL3849667 | 0.78 | CYP3A4 (0.50) | KITCYP2C19CYP3A4CYP1A2CLK4 |
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 |