Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.30 |
| ▸ | AXL | P30530 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3847270 | 0.89 | ACVR1 (0.34) | SLC22A12ACVR1GRM4PIK3CAAURKA | |
| SCHEMBL3847543 | 0.86 | PIK3CA (0.34) | SLC22A12ACVR1GRM4PIK3CABRAF | |
| SCHEMBL3854064 | 0.83 | — | — | |
| SCHEMBL3846938 | 0.81 | SLC22A12 (0.38) | SLC22A12ACVR1GRM4PIK3CAAURKA | |
| SCHEMBL3847393 | 0.79 | PIK3CA (0.37) | SLC22A12ACVR1GRM4PIK3CA | |
| SCHEMBL3853751 | 0.77 | CA12 (0.40) | SLC22A12ACVR1GRM4PIK3CA | |
| SCHEMBL3851426 | 0.76 | ATM (0.36) | ACVR1GRM4PIK3CAKDR | |
| SCHEMBL3845961 | 0.76 | PIK3CA (0.35) | ACVR1PIK3CA | |
| SCHEMBL3845802 | 0.75 | CTSS (0.37) | PIK3CAMAPKAPK2 | |
| SCHEMBL3847491 | 0.75 | CYP2C19 (0.45) | ACVR1PIK3CASYKMAPKAPK2KDR |
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 |