Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 13/20 | 0.57 |
| ▸ | MTOR | P42345 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL189471 | 0.82 | ALDH1A1 (0.45) | PIK3CAALDH1A1RECQLKDM4EHPGD | |
| SCHEMBL1898411 | 0.82 | PIK3CA (0.60) | PIK3CAMTORALDH1A1MAPTTDP1 | |
| SCHEMBL12458071 | 0.76 | PIK3CA (0.64) | PIK3CAMTOR | |
| SCHEMBL1900964 | 0.75 | MTOR (0.69) | PIK3CAMTORPIK3CDPIK3CBPIK3CG | |
| SCHEMBL1897414 | 0.74 | PIK3CA (0.58) | PIK3CAMTOR | |
| SCHEMBL1983390 | 0.74 | PIK3CA (0.78) | PIK3CAMTOR | |
| SCHEMBL3329886 | 0.73 | PIK3CA (0.66) | PIK3CAMTOR | |
| SCHEMBL1982110 | 0.73 | PIK3CA (1.00) | PIK3CAMTOR | |
| SCHEMBL3329395 | 0.73 | PIK3CA (1.00) | PIK3CAMTOR | |
| SCHEMBL189076 | 0.72 | CDK4 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1940839-B1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kalpha | EXELIXIS INC (US) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012149308-A1 | METHOD OF TREATING LYMPHOMA USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K/MTOR | EXELIXIS, INC. (US) | 2012-11-01 | — | — | WO | disclosed |
| WO-2012065019-A2 | PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA | EXELIXIS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| WO-2011100319-A1 | METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K AND MTOR IN COMBINATION WITH AUTOPHAGY INHIBITORS | EXELIXIS, INC. (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2008124161-A1 | METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA | EXELIXIS, INC. (US) | 2008-10-16 | — | — | WO | disclosed |