Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 9/20 | 0.40 |
| ▸ | CASR | P41180 | 3/20 | 0.39 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL5499293 | 0.86 | KMT2A (0.41) | CHEK2SMAD3CHEK1MEN1KMT2A | |
| SCHEMBL5500407 | 0.85 | CHEK2 (0.42) | CHEK2CASRSMAD3CHEK1MEN1 | |
| SCHEMBL5502861 | 0.81 | SMAD3 (0.42) | CHEK2SMAD3CHEK1MEN1KMT2A | |
| SCHEMBL4011654 | 0.81 | CHEK2 (0.54) | CHEK2CASRSMAD3CHEK1MEN1 | |
| SCHEMBL4011640 | 0.81 | CHEK2 (0.54) | CHEK2CASRSMAD3CHEK1MEN1 | |
| SCHEMBL5499603 | 0.77 | CHEK2 (0.44) | CHEK2MAPT | |
| SCHEMBL1624929 | 0.76 | CHEK2 (0.42) | CHEK2CASRSMAD3CHEK1MEN1 | |
| SCHEMBL1084865 | 0.75 | SCN9A (0.49) | CHEK2CASRSMAD3MEN1KMT2A | |
| SCHEMBL1084435 | 0.75 | SCN9A (0.49) | CHEK2CASRSMAD3MEN1KMT2A | |
| SCHEMBL1084748 | 0.74 | SCN9A (0.51) | CHEK2SMAD3MEN1KMT2AMAPT |
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 3 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-A9 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | WO | disclosed |