Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 4/20 | 0.37 |
| ▸ | ATF1 | P18846 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845914 | 0.89 | MAPK1 (0.42) | ALDH1A1SMN1; SMN2METMAPTCLK1 | |
| SCHEMBL3848697 | 0.86 | ALDH1A1 (0.45) | ALDH1A1METMAPTMAPK1 | |
| SCHEMBL3846730 | 0.85 | IDO1 (0.40) | METCLK1KITFGFR3KDR | |
| SCHEMBL3845025 | 0.84 | SORT1 (0.41) | ALDH1A1SMN1; SMN2METCLK1NFKB1 | |
| SCHEMBL3852747 | 0.84 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2METCLK1FGFR3 | |
| SCHEMBL3851316 | 0.84 | MET (0.41) | METCLK1PIK3CAMAPK1FGFR3 | |
| SCHEMBL3852108 | 0.83 | CYP1A2 (0.39) | ALDH1A1SMN1; SMN2METMAPTCLK1 | |
| SCHEMBL3846961 | 0.83 | TRPV1 (0.47) | METMAPTCLK1KITFGFR3 | |
| SCHEMBL3847490 | 0.83 | MAPT (0.40) | ALDH1A1SMN1; SMN2METMAPTCLK1 | |
| SCHEMBL3849284 | 0.83 | EPHB3 (0.38) | METCLK1KITMAPK1FGFR3 |
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 |