Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.49 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3847409 | 0.87 | ALDH1A1 (0.40) | PIK3CAPIK3CBMTORCDK19TGFBR1 | |
| SCHEMBL3855309 | 0.86 | TGFBR1 (0.38) | PIK3CATGFBR1MAPK14JAK2JAK3 | |
| Hydrochloric Acid SCHEMBL3854861 | 0.85 | TGFBR1 (0.37) | PIK3CATGFBR1MAPK14JAK2JAK3 | |
| Hydrochloric Acid SCHEMBL3846121 | 0.85 | TGFBR1 (0.37) | PIK3CATGFBR1MAPK14JAK2JAK3 | |
| SCHEMBL13874585 | 0.83 | PIK3CA (0.49) | PIK3CAPIK3CBMTORCDK19FLT3 | |
| SCHEMBL13874137 | 0.83 | FLT3 (0.51) | PIK3CAMTORTGFBR1FLT3 | |
| SCHEMBL13874112 | 0.82 | FLT3 (0.46) | PIK3CAMTORTGFBR1FLT3MAPK14 | |
| SCHEMBL3850704 | 0.82 | FLT3 (0.43) | TGFBR1FLT3MAPK14JAK2JAK3 | |
| Hydrochloric Acid SCHEMBL3856691 | 0.82 | FLT3 (0.50) | PIK3CAMTORTGFBR1FLT3 | |
| SCHEMBL3851554 | 0.81 | TGFBR1 (0.36) | PIK3CAPIK3CBMTORCDK19TGFBR1 |
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 |