Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 4/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | PRKCB | P05771 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | GRK5 | P34947 | 1/20 | 0.46 |
| ▸ | GRK6 | P43250 | 1/20 | 0.46 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.46 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.46 |
| ▸ | GRK7 | Q8WTQ7 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.44 |
| ▸ | CCKAR | P32238 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | PRKACG | P22612 | 1/20 | 0.40 |
| ▸ | PRKACB | P22694 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 SCHEMBL3845912 | 0.92 | NCF1 (0.45) | GRK2ROCK1AURKAPRKCBAKT1 | |
| Trifluoroacetic Acid SCHEMBL3846498 | 0.91 | KCNH2 (0.46) | GRK2AKT1GRK5MAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL5852101 | 0.88 | MLYCD (0.42) | MLYCD | |
| Trifluoroacetic Acid SCHEMBL3846051 | 0.87 | CYP1A2 (0.56) | GRK2ROCK1AURKAPRKCBAKT1 | |
| Trifluoroacetic Acid SCHEMBL4717163 | 0.86 | CYP3A4 (0.40) | AKT1MAPT | |
| Trifluoroacetic Acid SCHEMBL3846847 | 0.86 | MAPKAPK2 (0.44) | AKT1MAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL4711647 | 0.86 | HTR1A (0.38) | GRK2ROCK1AKT1GRK5ROCK2 | |
| Trifluoroacetic Acid SCHEMBL3846732 | 0.83 | PIK3CA (0.40) | AKT1MAPKAPK2MLYCD | |
| SCHEMBL30734137 | 0.82 | KCNH2 (0.48) | GRK2ROCK1GRK5NCF1ROCK2 | |
| Hydrochloric Acid SCHEMBL3847773 | 0.82 | MAPKAPK2 (0.47) | AKT1NCF1ROCK2MAPKAPK2MAPT |
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 |