Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 5/20 | 0.40 |
| ▸ | CDK8 | P49336 | 3/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5852249 | 0.92 | GAA (0.46) | MAPKAPK2CDK8RXFP1MAP4K1NCF1 | |
| Trifluoroacetic Acid SCHEMBL3848126 | 0.91 | KCNH2 (0.44) | MAPKAPK2CDK8NCF1DRD2DRD3 | |
| Trifluoroacetic Acid SCHEMBL3845975 | 0.88 | C1S (0.41) | NCF1GAAMEN1KMT2AHTR6 | |
| SCHEMBL3852542 | 0.85 | GAA (0.51) | MAPKAPK2MAP4K1NCF1GAAKMT2A | |
| Trifluoroacetic Acid SCHEMBL3846847 | 0.83 | MAPKAPK2 (0.44) | MAPKAPK2CDK8RXFP1SLC2A1MKNK1 | |
| Trifluoroacetic Acid SCHEMBL3857455 | 0.83 | NR1H2 (0.37) | MAPKAPK2DRD2DRD3HTR6 | |
| Hydrochloric Acid SCHEMBL3846072 | 0.82 | MAP4K1 (0.41) | MAPKAPK2CDK8MAP4K1CCR1HTR6 | |
| SCHEMBL3851844 | 0.81 | CYP3A4 (0.50) | NCF1 | |
| Hydrochloric Acid SCHEMBL3855245 | 0.81 | MEN1 (0.42) | CDK8MAP4K1NCF1MEN1KMT2A | |
| SCHEMBL3847156 | 0.81 | AKR1C3 (0.43) | — |
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 |