Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 7/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.37 |
| ▸ | NRAS | P01111 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5851878 | 0.91 | TGFBR1 (0.43) | TGFBR1ATMCLK1IRAK4MKNK1 | |
| SCHEMBL3846530 | 0.83 | TGFBR1 (0.40) | TGFBR1ATMALDH1A1ALDH1A3CLK1 | |
| SCHEMBL4713313 | 0.80 | IRAK4 (0.41) | TGFBR1CLK1IRAK4MKNK1MKNK2 | |
| SCHEMBL3845039 | 0.76 | TGFBR1 (0.46) | TGFBR1ATMALDH1A1ALDH1A3 | |
| SCHEMBL3855543 | 0.76 | PIK3CD (0.39) | TGFBR1ALDH1A1CLK1MKNK1MKNK2 | |
| SCHEMBL3851820 | 0.76 | PIK3CD (0.40) | TGFBR1 | |
| SCHEMBL3847097 | 0.76 | PRMT5 (0.38) | CLK1MKNK1MKNK2FLT3 | |
| SCHEMBL5269393 | 0.75 | TSHR (0.47) | ALDH1A1ALDH1A3 | |
| SCHEMBL3845587 | 0.75 | TGFBR1 (0.43) | TGFBR1 | |
| SCHEMBL3848191 | 0.74 | NPC1 (0.48) | ATMALDH1A1MKNK1MKNK2 |
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 |