Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.56 |
| ▸ | BPTF | Q12830 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.35 |
| ▸ | TCF7L2 | Q9NQB0 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1624407 | 0.89 | CHEK2 (0.55) | CHEK2MAPTIRAK4HRH4SMAD3 | |
| SCHEMBL1621898 | 0.89 | CHEK2 (0.55) | CHEK2MAPTIRAK4HRH4SMAD3 | |
| SCHEMBL1621902 | 0.89 | CHEK2 (0.55) | CHEK2MAPTIRAK4HRH4SMAD3 | |
| SCHEMBL1623865 | 0.85 | SMAD3 (0.52) | CHEK2MAPTIRAK4GBA1HRH4 | |
| SCHEMBL1624010 | 0.85 | SMAD3 (0.52) | CHEK2MAPTIRAK4GBA1HRH4 | |
| SCHEMBL1623871 | 0.85 | SMAD3 (0.52) | CHEK2MAPTIRAK4GBA1HRH4 | |
| SCHEMBL1623857 | 0.83 | CHEK2 (0.57) | CHEK2BPTFMAPTIRAK4GBA1 | |
| SCHEMBL27694131 | 0.83 | MAPT (0.42) | CHEK2MAPTIRAK4GBA1HRH4 | |
| SCHEMBL1623854 | 0.83 | CHEK2 (0.57) | CHEK2BPTFMAPTIRAK4GBA1 | |
| SCHEMBL1623570 | 0.81 | CHEK2 (0.55) | CHEK2BPTFMAPTIRAK4SMAD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784393-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |