Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 11/20 | 0.71 |
| ▸ | MTOR | P42345 | 10/20 | 0.71 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.64 |
| ▸ | ATR | Q13535 | 9/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.49 |
| ▸ | ATRIP | Q8WXE1 | 5/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3081794 | 0.89 | PIK3CA (0.66) | PIK3CAMTORPIK3CDATRCYP2C9 | |
| SCHEMBL3082179 | 0.88 | PIK3CA (0.70) | PIK3CAMTORPIK3CDATRCYP2C9 | |
| SCHEMBL3082131 | 0.86 | PIK3CA (0.88) | PIK3CAMTORPIK3CDATRCYP2C9 | |
| SCHEMBL3076902 | 0.84 | PIK3CA (0.69) | PIK3CAMTORPIK3CDATRCYP2C9 | |
| SCHEMBL3093063 | 0.84 | PIK3CA (0.71) | PIK3CAMTORPIK3CDATRCYP2C9 | |
| SCHEMBL3600666 | 0.84 | PIK3CA (0.70) | PIK3CAMTORPIK3CDATRCYP2C9 | |
| SCHEMBL739897 | 0.83 | PIK3CA (0.72) | PIK3CAMTORPIK3CDATRCYP2C9 | |
| SCHEMBL3095615 | 0.83 | PIK3CA (1.00) | PIK3CAMTORPIK3CDATRCYP2C9 | |
| SCHEMBL3601400 | 0.83 | PIK3CA (0.67) | PIK3CAMTORPIK3CDATRPDCD1 | |
| SCHEMBL3083758 | 0.83 | PIK3CA (1.00) | PIK3CAMTORPIK3CDATRCYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009007751-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |