Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 5/20 | 0.44 |
| ▸ | CDK8 | P49336 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | BLK | P51451 | 2/20 | 0.39 |
| ▸ | BMX | P51813 | 2/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
| ▸ | BTK | Q06187 | 2/20 | 0.39 |
| ▸ | TEC | P42680 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 2/20 | 0.38 |
| ▸ | NR2C2 | P49116 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3846498 | 0.91 | KCNH2 (0.46) | MAPKAPK2AKT1MTORBLKBMX | |
| Trifluoroacetic Acid SCHEMBL3846732 | 0.90 | PIK3CA (0.40) | MAPKAPK2CDK8RXFP1AKT1MTOR | |
| Trifluoroacetic Acid SCHEMBL3845912 | 0.89 | NCF1 (0.45) | MAPKAPK2AKT1MTORDYRK1AGSK3B | |
| Trifluoroacetic Acid SCHEMBL3852308 | 0.86 | GRK2 (0.46) | MAPKAPK2AKT1 | |
| Trifluoroacetic Acid SCHEMBL3855290 | 0.86 | AKT1 (0.54) | AKT1SLC2A1 | |
| Trifluoroacetic Acid SCHEMBL5852101 | 0.84 | MLYCD (0.42) | PIK3CA | |
| Trifluoroacetic Acid SCHEMBL3844992 | 0.83 | MAPKAPK2 (0.40) | MAPKAPK2CDK8RXFP1SLC2A1MKNK1 | |
| Trifluoroacetic Acid SCHEMBL4717163 | 0.83 | CYP3A4 (0.40) | CDK8AKT1MTORBLKBMX | |
| SCHEMBL30734137 | 0.83 | KCNH2 (0.48) | MAPKAPK2DYRK1ASLC2A1ACVR1CLK2 | |
| Trifluoroacetic Acid SCHEMBL4711647 | 0.82 | HTR1A (0.38) | AKT1MTORBLKBMXJAK3 |
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 |