Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 9/20 | 0.38 |
| ▸ | CCND1 | P24385 | 9/20 | 0.38 |
| ▸ | CCND2 | P30279 | 8/20 | 0.38 |
| ▸ | CCND3 | P30281 | 8/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | WEE1 | P30291 | 1/20 | 0.37 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.36 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL190014 | 0.81 | KDM4E (0.58) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL189169 | 0.81 | KDM4E (0.58) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL189859 | 0.80 | CCND3 (0.54) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL188366 | 0.79 | MAPK1 (0.52) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL188921 | 0.79 | MAPK1 (0.58) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL189897 | 0.78 | KDM4E (0.57) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL189237 | 0.78 | HSD17B10 (0.69) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL4496300 | 0.76 | ALDH1A1 (0.48) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL4355205 | 0.75 | KDM4E (0.50) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL4221265 | 0.75 | PIK3CA (0.46) | CDK4CCND1CCND2CCND3PIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| US-8247408-B2 | Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer | EXELIXIS, INC. (US) | 2012-08-21 | — | — | US | claimed |