Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5852101 | 0.91 | MLYCD (0.42) | PIK3CAHTR1AHTR1DHTR1BHTR2A | |
| Trifluoroacetic Acid SCHEMBL3847757 | 0.90 | PIK3CA (0.41) | PIK3CAMTORPIK3CDPIK3CBPIK3CG | |
| Trifluoroacetic Acid SCHEMBL3846847 | 0.90 | MAPKAPK2 (0.44) | PIK3CAMTORCDK8AKT1MAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL3851492 | 0.87 | AKT1 (0.51) | MAP4K1AKT1 | |
| Trifluoroacetic Acid SCHEMBL3845912 | 0.85 | NCF1 (0.45) | PIK3CAMTORAKT1MAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL4717163 | 0.85 | CYP3A4 (0.40) | PIK3CAMTORPIK3CDPIK3CBPIK3CG | |
| Trifluoroacetic Acid SCHEMBL4711647 | 0.85 | HTR1A (0.38) | PIK3CAMTORPIK3CDPIK3CBPIK3CG | |
| Trifluoroacetic Acid SCHEMBL3846498 | 0.84 | KCNH2 (0.46) | PIK3CAMTORAKT1MAPKAPK2BLK | |
| Trifluoroacetic Acid SCHEMBL3852308 | 0.83 | GRK2 (0.46) | MLYCDAKT1MAPKAPK2 | |
| SCHEMBL3856496 | 0.83 | DRD2 (0.41) | PIK3CAMTORPIK3CDPIK3CBPIK3CG |
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 |