Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 16/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 12/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.59 |
| ▸ | LMNA | P02545 | 8/20 | 0.59 |
| ▸ | USP2 | O75604 | 8/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3848199 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 | |
| SCHEMBL3852147 | 0.83 | RPS6KB1 (0.48) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 | |
| SCHEMBL3846795 | 0.82 | CYP1A2 (0.59) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 | |
| SCHEMBL3852907 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 | |
| SCHEMBL3852434 | 0.81 | ACHE (0.52) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 | |
| SCHEMBL3855143 | 0.78 | CYP3A4 (0.40) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 | |
| SCHEMBL3855018 | 0.75 | PDGFRB (0.45) | CYP3A4HPGDMAPTTSHRTP53 | |
| Chlorobenzene SCHEMBL27644941 | 0.72 | CYP1A2 (0.69) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 | |
| SCHEMBL3845891 | 0.71 | ACHE (0.47) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 | |
| SCHEMBL29936658 | 0.70 | PTK2 (0.67) | CYP3A4CYP1A2CLK4CYP2C19ALDH1A1 |
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 |