Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WEE1 | P30291 | 1/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 3/20 | 0.42 |
| ▸ | PAK3 | O75914 | 2/20 | 0.42 |
| ▸ | PAK2 | Q13177 | 2/20 | 0.42 |
| ▸ | PKN1 | Q16512 | 2/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 8/20 | 0.41 |
| ▸ | CDK4 | P11802 | 4/20 | 0.41 |
| ▸ | CCND1 | P24385 | 3/20 | 0.41 |
| ▸ | CCND3 | P30281 | 2/20 | 0.41 |
| ▸ | CCND2 | P30279 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL188946 | 0.94 | WEE1 (0.47) | WEE1PAK1PAK3PAK2PKN1 | |
| SCHEMBL189156 | 0.90 | WEE1 (0.54) | WEE1PAK1PAK3PAK2PKN1 | |
| SCHEMBL189076 | 0.87 | CDK4 (0.42) | WEE1PTK2CDK4CCND1CCND3 | |
| SCHEMBL4342360 | 0.87 | PTK2 (0.48) | WEE1PAK1PKN1PAK4PTK2 | |
| SCHEMBL189185 | 0.87 | WEE1 (0.46) | WEE1PAK1PAK3PAK2PKN1 | |
| SCHEMBL14306579 | 0.85 | CDK4 (0.46) | WEE1PAK1PAK3PAK2PKN1 | |
| SCHEMBL4355205 | 0.83 | KDM4E (0.50) | WEE1PAK1PKN1PAK4CDK4 | |
| SCHEMBL12095760 | 0.82 | CDK4 (0.42) | WEE1PAK1PKN1PAK4CDK4 | |
| SCHEMBL4216668 | 0.81 | WEE1 (0.47) | WEE1PAK1PAK3PAK2PKN1 | |
| SCHEMBL188843 | 0.81 | PTK2 (0.50) | WEE1PAK1PKN1PAK4PTK2 |
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-2056829-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | Exelixis, Inc. (US) | 2009-05-13 | — | — | EP | claimed |
| EP-1931670-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3K | Exelixis, Inc. (US) | 2008-06-18 | — | — | EP | claimed |
| WO-2008021389-A2 | USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER | EXELIXIS, INC. (US) | 2008-02-21 | — | — | WO | claimed |
| WO-2007044698-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα | EXELIXIS, INC. (US) | 2007-04-19 | — | — | WO | claimed |