Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 10/20 | 0.44 |
| ▸ | CCND1 | P24385 | 10/20 | 0.44 |
| ▸ | CDK2 | P24941 | 4/20 | 0.44 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.44 |
| ▸ | CDK9 | P50750 | 2/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.44 |
| ▸ | CCND3 | P30281 | 8/20 | 0.44 |
| ▸ | CCND2 | P30279 | 7/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL190014 | 0.94 | KDM4E (0.58) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL189169 | 0.88 | KDM4E (0.58) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL4342360 | 0.86 | PTK2 (0.48) | CDK4CCND1CDK2CDK6CDK9 | |
| SCHEMBL188696 | 0.85 | CDK4 (0.47) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL188366 | 0.84 | MAPK1 (0.52) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL188921 | 0.84 | MAPK1 (0.58) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL3337709 | 0.84 | CDK4 (0.59) | CDK4CCND1CDK2CDK6CDK9 | |
| SCHEMBL189897 | 0.83 | KDM4E (0.57) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL12095760 | 0.83 | CDK4 (0.42) | CDK4CCND1CDK2CDK6CDK9 | |
| SCHEMBL4352016 | 0.83 | WEE1 (0.44) | CDK4CCND1CDK2CDK6CDK9 |
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 |