Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 3/20 | 0.38 |
| ▸ | BLK | P51451 | 1/20 | 0.38 |
| ▸ | BMX | P51813 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | C1S | P09871 | 1/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
| ▸ | GRK5 | P34947 | 1/20 | 0.37 |
| ▸ | GRK1 | Q15835 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
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 SCHEMBL3852308 | 0.91 | GRK2 (0.46) | MAPKAPK2AKT1GRK2GRK5 | |
| Trifluoroacetic Acid SCHEMBL3846847 | 0.91 | MAPKAPK2 (0.44) | MAPKAPK2MTORBLKBMXJAK3 | |
| Trifluoroacetic Acid SCHEMBL5852101 | 0.89 | MLYCD (0.42) | PIK3CA | |
| Trifluoroacetic Acid SCHEMBL4717163 | 0.87 | CYP3A4 (0.40) | MTORBLKBMXJAK3BTK | |
| Trifluoroacetic Acid SCHEMBL4711647 | 0.87 | HTR1A (0.38) | MTORBLKBMXJAK3BTK | |
| Trifluoroacetic Acid SCHEMBL3849021 | 0.86 | AKT1 (0.52) | AKT1 | |
| Trifluoroacetic Acid SCHEMBL3845912 | 0.86 | NCF1 (0.45) | MAPKAPK2MTORAKT1DYRK1AGSK3B | |
| Trifluoroacetic Acid SCHEMBL3848126 | 0.84 | KCNH2 (0.44) | KCNH2MAPKAPK2MTORC1SDHFR | |
| Trifluoroacetic Acid SCHEMBL3846732 | 0.84 | PIK3CA (0.40) | MAPKAPK2MTORBLKBMXJAK3 | |
| SCHEMBL30734137 | 0.82 | KCNH2 (0.48) | KCNH2MAPKAPK2DYRK1AALKGRK2 |
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 |