Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 16/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 10/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4970404 | 1.00 | CHEK2 (0.52) | CHEK2CHEK1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4969613 | 0.89 | CHEK2 (0.52) | CHEK2CHEK1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL238372 | 0.89 | CHEK2 (0.52) | CHEK2CHEK1CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL4971370 | 0.88 | CHEK2 (0.51) | CHEK2CHEK1CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL4971369 | 0.88 | CHEK2 (0.51) | CHEK2CHEK1CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4969132 | 0.88 | CHEK2 (0.39) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL237761 | 0.88 | CHEK2 (0.39) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4969097 | 0.86 | CHEK2 (0.54) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4969100 | 0.86 | CHEK2 (0.54) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| Sulfuric Acid SCHEMBL4972024 | 0.86 | CHEK2 (0.49) | CHEK2CHEK1CYP2D6SLC6A2SLC6A4 |
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-1957482-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | disclosed |