Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 15/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.45 |
| ▸ | USP2 | O75604 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 11/20 | 0.44 |
| ▸ | TSHR | P16473 | 9/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3854694 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL3846993 | 0.84 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL3848419 | 0.82 | CYP3A4 (0.63) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL3849667 | 0.81 | CYP3A4 (0.50) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL3847688 | 0.80 | CYP3A4 (0.42) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL3850556 | 0.80 | LRRK2 (0.52) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| Hydrochloric Acid SCHEMBL3849344 | 0.80 | MAP4K4 (0.46) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL3848700 | 0.80 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL3845114 | 0.80 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 | |
| SCHEMBL3844703 | 0.78 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2C19ALDH1A1CLK4 |
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 3 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 |