Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 14/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | NEK2 | P51955 | 1/20 | 0.31 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845931 | 0.92 | KDR (0.39) | KDRTGFBR1MKNK1MKNK2ALDH1A1 | |
| SCHEMBL3844458 | 0.90 | KDR (0.37) | KDRTGFBR1MKNK1MKNK2TGFBR2 | |
| SCHEMBL3848240 | 0.87 | MKNK1 (0.37) | KDRMKNK1MKNK2 | |
| SCHEMBL3847546 | 0.85 | MKNK1 (0.45) | KDRMKNK1MKNK2ALDH1A1NPC1 | |
| SCHEMBL3849894 | 0.84 | TGFBR1 (0.36) | KDRTGFBR1ALDH1A1NPC1RAB9A | |
| SCHEMBL5853404 | 0.84 | FLT3 (0.42) | TGFBR1MKNK1MKNK2ALDH1A1NPC1 | |
| SCHEMBL3846039 | 0.82 | KDR (0.39) | KDRTGFBR1MKNK1MKNK2FLT3 | |
| Hydrochloric Acid SCHEMBL3847227 | 0.80 | TGFBR1 (0.35) | KDRTGFBR1MKNK1MKNK2NPC1 | |
| SCHEMBL3847138 | 0.80 | KDR (0.37) | KDRFLT3 | |
| SCHEMBL3852056 | 0.79 | KDR (0.41) | KDRTGFBR1FLT3TGFBR2 |
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 |