Predicted protein targets (top 16)
| 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 |
| ▸ | PIK3CA | P42336 | 15/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL189119 | 0.86 | ALDH1A1 (0.64) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL1901551 | 0.80 | PIK3CA (0.60) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL189326 | 0.71 | ALDH1A1 (0.65) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL15146960 | 0.70 | PIK3CA (0.54) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL189165 | 0.70 | FGFR1 (0.51) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL4231600 | 0.70 | ADORA1 (0.46) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL188797 | 0.70 | ALDH1A1 (0.63) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL15109485 | 0.70 | PIK3CA (0.51) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL188738 | 0.70 | HSD17B10 (0.63) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL189369 | 0.70 | ALDH1A1 (0.63) | KDM4EALDH1A1GLAGAAHPGD |
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-2012065019-A2 | PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA | EXELIXIS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |