Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 5/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3851514 | 0.87 | CHRM4 (0.42) | ALKLRRK2CREBBPNCF1PIK3CA | |
| SCHEMBL3846403 | 0.84 | LRRK2 (0.31) | ALKLRRK2CREBBP | |
| SCHEMBL3846521 | 0.83 | MAPKAPK2 (0.46) | ALKCREBBPMETACVR1MAPKAPK2 | |
| SCHEMBL3846323 | 0.83 | NCF1 (0.33) | NCF1PIK3CAACVR1HTR1AHTR1D | |
| SCHEMBL3847140 | 0.80 | CSNK1D (0.35) | NCF1PIK3CACHRM4KCNH2 | |
| SCHEMBL3848717 | 0.77 | MAPKAPK2 (0.45) | NCF1MAPKAPK2GRM4 | |
| SCHEMBL3855792 | 0.76 | CHRM4 (0.45) | PIK3CAMTORHTR1AHTR1DHTR1B | |
| SCHEMBL3767072 | 0.74 | ACVR1 (0.44) | ALKLRRK2NCF1ACVR1 | |
| SCHEMBL3855214 | 0.74 | CHRM4 (0.41) | ALKPIK3CAMETMTORACVR1 | |
| SCHEMBL3853501 | 0.74 | CHRM4 (0.44) | PIK3CAMTORHTR1AHTR1DHTR1B |
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 |