Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 5/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.32 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL3847856 | 0.85 | PIK3CA (0.44) | PIK3CAGRM4ACVR1MAPK14RET | |
| SCHEMBL3852071 | 0.84 | MAPK14 (0.36) | PIK3CAGRM4ACVR1TGFBR1MAPK14 | |
| SCHEMBL3845916 | 0.84 | GRM4 (0.38) | PIK3CAGRM4ACVR1TGFBR1MAPK14 | |
| SCHEMBL3845311 | 0.81 | ATM (0.38) | PIK3CAGRM4ACVR1TGFBR1 | |
| SCHEMBL3845926 | 0.80 | PIK3CA (0.34) | PIK3CAGRM4ACVR1TGFBR1 | |
| SCHEMBL3850069 | 0.78 | CA12 (0.43) | PIK3CAGRM4ACVR1CAMKK1CAMKK2 | |
| SCHEMBL3848852 | 0.78 | ALDH1A1 (0.43) | ACVR1 | |
| SCHEMBL3846957 | 0.77 | NCF1 (0.48) | ACVR1 | |
| SCHEMBL3847270 | 0.77 | ACVR1 (0.34) | PIK3CAGRM4ACVR1 | |
| SCHEMBL3846323 | 0.76 | NCF1 (0.33) | PIK3CAGRM4ACVR1 |
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 |