Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 12/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 9/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.32 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4969132 | 1.00 | CHEK2 (0.39) | CHEK2CHEK1MC4RSLC6A2SLC6A4 | |
| SCHEMBL4968728 | 0.90 | SLC6A2 (0.38) | CHEK2CHEK1MC4RSLC6A2SLC6A4 | |
| SCHEMBL4968722 | 0.90 | SLC6A2 (0.38) | CHEK2CHEK1MC4RSLC6A2SLC6A4 | |
| SCHEMBL4970404 | 0.88 | CHEK2 (0.52) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4970397 | 0.88 | CHEK2 (0.52) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5503499 | 0.87 | CHEK2 (0.45) | CHEK2CHEK1MC4RSLC6A2SLC6A4 | |
| SCHEMBL4972794 | 0.87 | CHEK2 (0.45) | CHEK2CHEK1MC4RSLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL4968875 | 0.86 | CHEK2 (0.44) | CHEK2CHEK1MC4RSLC6A2SLC6A4 | |
| SCHEMBL5505206 | 0.82 | CHEK2 (0.37) | CHEK2CHEK1MEN1KMT2A | |
| SCHEMBL5507375 | 0.82 | CHEK2 (0.41) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 |
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-1957482-B1 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMA (US) | 2012-01-04 | — | — | EP | disclosed |
| 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 |