Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 6/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4972794 | 0.95 | CHEK2 (0.45) | CHEK2GRM2SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL5503499 | 0.95 | CHEK2 (0.45) | CHEK2GRM2SLC6A2SLC6A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL4968875 | 0.94 | CHEK2 (0.44) | CHEK2GRM2SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL5505206 | 0.88 | CHEK2 (0.37) | CHEK2GRM2CHEK1MEN1KMT2A | |
| SCHEMBL5507443 | 0.85 | CHEK2 (0.56) | CHEK2CHEK1CYP1A2MEN1KMT2A | |
| SCHEMBL4968728 | 0.82 | SLC6A2 (0.38) | CHEK2SLC6A2SLC6A3SLC6A4CHEK1 | |
| SCHEMBL237761 | 0.82 | CHEK2 (0.39) | CHEK2SLC6A2SLC6A3SLC6A4CHEK1 | |
| SCHEMBL4968722 | 0.82 | SLC6A2 (0.38) | CHEK2SLC6A2SLC6A3SLC6A4CHEK1 | |
| SCHEMBL4969132 | 0.82 | CHEK2 (0.39) | CHEK2SLC6A2SLC6A3SLC6A4CHEK1 | |
| SCHEMBL5505763 | 0.80 | CHEK2 (0.62) | CHEK2CHEK1KMT2A |
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 |