Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 9/20 | 0.43 |
| ▸ | FYN | P06241 | 3/20 | 0.43 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 2/20 | 0.36 |
| ▸ | NRAS | P01111 | 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 | |
|---|---|---|---|---|
| SCHEMBL3845225 | 0.96 | IRAK4 (0.51) | IRAK4TGFBR1FYNTGFBR2KDR | |
| SCHEMBL3855569 | 0.87 | TGFBR1 (0.50) | IRAK4TGFBR1TGFBR2FLT3NRAS | |
| SCHEMBL3851466 | 0.85 | TGFBR1 (0.46) | IRAK4TGFBR1FYNTGFBR2KDR | |
| SCHEMBL3846558 | 0.83 | TGFBR1 (0.44) | TGFBR1TGFBR2FLT3NRAS | |
| SCHEMBL5852289 | 0.83 | TGFBR1 (0.43) | TGFBR1TGFBR2FLT3NRAS | |
| SCHEMBL3854481 | 0.82 | TGFBR1 (0.46) | IRAK4TGFBR1TGFBR2FLT3NRAS | |
| SCHEMBL13874612 | 0.81 | TGFBR1 (0.42) | IRAK4TGFBR1TGFBR2FLT3NRAS | |
| SCHEMBL3854567 | 0.81 | TGFBR1 (0.48) | IRAK4TGFBR1TGFBR2FLT3NRAS | |
| SCHEMBL3845287 | 0.81 | IRAK4 (0.44) | IRAK4TGFBR1FYNTGFBR2KDR | |
| Hydrochloric Acid SCHEMBL3850678 | 0.80 | TGFBR1 (0.41) | IRAK4TGFBR1TGFBR2FLT3NRAS |
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 |