Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3C3 | Q8NEB9 | 11/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.40 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 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 | |
|---|---|---|---|---|
| SCHEMBL953679 | 0.90 | TGFBR1 (0.40) | PIK3C3TGFBR1TGFBR2ALPLCYP3A4 | |
| SCHEMBL12918242 | 0.89 | PIK3C3 (0.39) | PIK3C3TGFBR1TGFBR2ALPLCYP3A4 | |
| SCHEMBL13256974 | 0.83 | PIK3C3 (0.41) | PIK3C3TGFBR1TGFBR2CYP3A4AAK1 | |
| SCHEMBL13256970 | 0.83 | PIK3C3 (0.40) | PIK3C3TGFBR1TGFBR2CYP3A4AAK1 | |
| SCHEMBL13257567 | 0.82 | PIK3CA (0.38) | PIK3C3TGFBR1TGFBR2ALPLCYP3A4 | |
| SCHEMBL12947779 | 0.81 | ALPL (0.44) | ALPL | |
| SCHEMBL13256651 | 0.75 | IRAK4 (0.36) | PIK3C3CYP3A4AAK1MAPK14 | |
| SCHEMBL13256659 | 0.73 | NR3C2 (0.40) | PIK3C3CYP3A4AAK1MAPK14 | |
| SCHEMBL12947729 | 0.73 | PIK3C3 (0.40) | PIK3C3TGFBR1TGFBR2CYP3A4AAK1 | |
| SCHEMBL957235 | 0.73 | ALPL (0.43) | ALPLCYP3A4 |
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-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |