Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.78 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.78 |
| ▸ | GLA | P06280 | 4/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.78 |
| ▸ | GAA | P10253 | 3/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.78 |
| ▸ | HPGD | P15428 | 1/20 | 0.78 |
| ▸ | HTT | P42858 | 1/20 | 0.78 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.78 |
| ▸ | PIK3CA | P42336 | 14/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.41 |
| ▸ | CASP7 | P55210 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3693426 | 0.93 | ALDH1A1 (0.81) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL188758 | 0.91 | ALDH1A1 (0.74) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL188690 | 0.89 | ALDH1A1 (0.71) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL189499 | 0.88 | ALDH1A1 (0.78) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL188994 | 0.88 | ALDH1A1 (0.70) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL188695 | 0.88 | ALDH1A1 (1.00) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL188500 | 0.86 | ALDH1A1 (0.67) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL189075 | 0.85 | ALDH1A1 (0.73) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL188562 | 0.83 | ALDH1A1 (0.70) | ALDH1A1HSD17B10GLAMAPK1GAA | |
| SCHEMBL188767 | 0.78 | ALDH1A1 (0.70) | ALDH1A1HSD17B10GLAMAPK1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2139484-B9 | METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA | EXELIXIS INC (US) | 2014-06-11 | — | — | EP | disclosed |