Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 14/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | MELK | Q14680 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NMT2 | O60551 | 1/20 | 0.32 |
| ▸ | NMT1 | P30419 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL3848216 | 0.90 | CA12 (0.34) | CYP2D6CYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL3848264 | 0.89 | CYP1A2 (0.39) | CYP2D6CYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL3854332 | 0.87 | KIT (0.35) | CYP2D6CYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL4715276 | 0.87 | KIT (0.38) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL3852540 | 0.86 | STK17B (0.33) | PIK3CALMNA | |
| Hydrochloric Acid SCHEMBL3854735 | 0.86 | KIT (0.38) | CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3846886 | 0.86 | MAP4K4 (0.34) | PIK3CA | |
| Hydrochloric Acid SCHEMBL3851460 | 0.85 | MAP4K4 (0.38) | CYP2D6CYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL3848218 | 0.85 | KIT (0.36) | CYP2D6CYP1A2CYP3A4CLK4CYP2C19 | |
| SCHEMBL3847588 | 0.84 | KIT (0.35) | CYP2D6CYP1A2CYP3A4CLK4CYP2C19 |
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 |