Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL3845916 | 0.85 | GRM4 (0.38) | SLC22A12MAPKAPK2PIK3CAGRM4ACVR1 | |
| SCHEMBL3847626 | 0.83 | CSNK1D (0.39) | SLC22A12PIK3CAGRM4ACVR1MAPK14 | |
| SCHEMBL3851426 | 0.82 | ATM (0.36) | PIK3CAGRM4ACVR1KDR | |
| SCHEMBL3854061 | 0.81 | SLC22A12 (0.33) | SLC22A12MAPKAPK2PIK3CAGRM4ACVR1 | |
| SCHEMBL3846942 | 0.81 | SLC22A12 (0.34) | SLC22A12CYP3A4HPGD | |
| SCHEMBL3850354 | 0.81 | NCF1 (0.48) | ACVR1CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3847491 | 0.81 | CYP2C19 (0.45) | MAPKAPK2PIK3CAACVR1KDRCYP3A4 | |
| SCHEMBL3846231 | 0.81 | MAPKAPK2 (0.46) | MAPKAPK2CYP3A4HPGDALDH1A1CYP1A2 | |
| SCHEMBL3848849 | 0.80 | MET (0.35) | SLC22A12MAPKAPK2PIK3CAGRM4ACVR1 | |
| SCHEMBL3848141 | 0.79 | CYP3A4 (0.50) | SLC22A12CYP3A4HPGDALDH1A1CYP1A2 |
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 |