Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 8/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3846732 | 0.90 | PIK3CA (0.40) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| Trifluoroacetic Acid SCHEMBL5852101 | 0.88 | MLYCD (0.42) | PIK3CAHTR1AHTR1DHTR1BHTR6 | |
| Trifluoroacetic Acid SCHEMBL3846847 | 0.81 | MAPKAPK2 (0.44) | PIK3CAMTORAKT1DYRK1AGSK3B | |
| Trifluoroacetic Acid SCHEMBL3845912 | 0.81 | NCF1 (0.45) | PIK3CAMTORAKT1DYRK1AGRK2 | |
| Hydrochloric Acid SCHEMBL3850590 | 0.81 | AKT1 (0.49) | PIK3CGAKT1GRK2 | |
| Trifluoroacetic Acid SCHEMBL4717163 | 0.80 | CYP3A4 (0.40) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| Trifluoroacetic Acid SCHEMBL4711647 | 0.80 | HTR1A (0.38) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL3856496 | 0.80 | DRD2 (0.41) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| Trifluoroacetic Acid SCHEMBL3846498 | 0.79 | KCNH2 (0.46) | PIK3CAMTORAKT1DYRK1AGRK2 | |
| Trifluoroacetic Acid SCHEMBL3852308 | 0.79 | GRK2 (0.46) | AKT1GRK2 |
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 |