Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.44 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14145116 | 0.85 | ATM (0.63) | PIK3CAMTORATMMKNK1MKNK2 | |
| SCHEMBL3847512 | 0.85 | MKNK1 (0.51) | PIK3CAMTORATMMKNK1MKNK2 | |
| SCHEMBL3846712 | 0.83 | MKNK1 (0.61) | PIK3CAMTORATMMKNK1MKNK2 | |
| SCHEMBL15298893 | 0.83 | MKNK1 (0.50) | PIK3CAMTORATMMKNK1MKNK2 | |
| SCHEMBL18609148 | 0.83 | PIK3CA (0.58) | PIK3CAMTORATMMKNK1MKNK2 | |
| SCHEMBL25148814 | 0.83 | CHEK1 (0.46) | PIK3CAATMMKNK1MKNK2RIPK2 | |
| SCHEMBL3490519 | 0.83 | FYN (0.55) | ATMRIPK2FYNKDM4E | |
| SCHEMBL13874025 | 0.81 | PIK3CA (0.44) | PIK3CAMTORATMMKNK1MKNK2 | |
| SCHEMBL15639434 | 0.80 | PIK3CA (0.45) | PIK3CAMTORMAP3K14ALDH1A1TGFBR1 | |
| SCHEMBL3854288 | 0.80 | PIK3CA (0.65) | PIK3CAMTORRIPK2MAP3K14FYN |
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 |