Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 9/20 | 0.42 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1624929 | 0.87 | CHEK2 (0.42) | CHEK2SMAD3CASRMEN1KMT2A | |
| SCHEMBL5506146 | 0.85 | KMT2A (0.43) | CHEK2SMAD3MEN1KMT2ACHEK1 | |
| SCHEMBL5504628 | 0.85 | CHEK2 (0.40) | CHEK2SMAD3CASRMEN1KMT2A | |
| SCHEMBL1622823 | 0.84 | CHEK2 (0.38) | CHEK2SMAD3CASRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1624765 | 0.83 | CHEK2 (0.38) | CHEK2SMAD3CASRMEN1KMT2A | |
| SCHEMBL1622775 | 0.81 | MAPT (0.45) | CHEK2SMAD3CASRMEN1KMT2A | |
| SCHEMBL5505194 | 0.80 | SMAD3 (0.44) | CHEK2SMAD3MEN1KMT2ACHEK1 | |
| SCHEMBL183513 | 0.80 | CHEK2 (0.54) | CHEK2SMAD3CASRMEN1KMT2A | |
| SCHEMBL1622030 | 0.80 | CHEK2 (0.54) | CHEK2SMAD3CASRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4013873 | 0.79 | CHEK2 (0.53) | CHEK2SMAD3MEN1KMT2AALDH1A1 |
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 |