Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.39 |
| ▸ | USP2 | O75604 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 17/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.38 |
| ▸ | LMNA | P02545 | 8/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.37 |
| ▸ | CLK1 | P49759 | 10/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 9/20 | 0.36 |
| ▸ | CLK2 | P49760 | 8/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 8/20 | 0.36 |
| ▸ | CLK3 | P49761 | 7/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3852822 | 0.87 | CYP2D6 (0.38) | CYP2D6CYP1A2CYP3A4MAPK1TSHR | |
| SCHEMBL3846535 | 0.86 | PIK3CD (0.32) | CYP2D6CYP1A2CYP3A4MAPK1TSHR | |
| SCHEMBL3852824 | 0.86 | KDM4E (0.33) | CYP2D6CYP1A2CYP3A4MAPK1TSHR | |
| SCHEMBL4716874 | 0.85 | CYP3A4 (0.33) | CYP2D6CYP1A2CYP3A4MAPK1TSHR | |
| SCHEMBL3848783 | 0.85 | PIK3CD (0.42) | CYP2D6CYP1A2CYP3A4MAPK1TSHR | |
| SCHEMBL3855612 | 0.84 | MAP4K4 (0.34) | CYP2D6CYP1A2CYP3A4MAPK1TSHR | |
| SCHEMBL3851042 | 0.84 | CYP1A2 (0.35) | CYP2D6CYP1A2CYP3A4MAPK1TSHR | |
| SCHEMBL3849263 | 0.84 | ALDH1A1 (0.40) | CYP2D6CYP1A2CYP3A4MAPK1TSHR | |
| SCHEMBL3845563 | 0.84 | EGFR (0.33) | EGFR | |
| SCHEMBL3846175 | 0.83 | TGFBR1 (0.31) | — |
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 |