Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.51 |
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | CKS1B | P61024 | 1/20 | 0.42 |
| ▸ | SKP1 | P63208 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2533854 | 0.85 | GBA1 (0.67) | GBA1TLR9TLR7KITGPR119 | |
| SCHEMBL4013931 | 0.85 | HRH4 (0.50) | GBA1HRH4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL16421555 | 0.83 | TLR9 (0.47) | GBA1TLR9HRH4TLR7KIT | |
| SCHEMBL22220606 | 0.82 | TLR9 (0.50) | GBA1TLR9TLR7KITGPR119 | |
| SCHEMBL2918315 | 0.82 | TLR9 (0.66) | TLR9TLR7SMN1; SMN2 | |
| SCHEMBL30065068 | 0.82 | TLR9 (0.50) | GBA1TLR9TLR7KITGPR119 | |
| SCHEMBL16908185 | 0.82 | GBA1 (0.60) | GBA1TLR9KITGPR119MAP4K4 | |
| SCHEMBL4019288 | 0.81 | CNR1 (0.46) | CNR1CNR2CKS1BSKP1SKP2 | |
| SCHEMBL16636524 | 0.81 | TLR9 (0.52) | GBA1TLR9TLR7KITMEN1 | |
| SCHEMBL22028788 | 0.81 | TLR9 (0.52) | GBA1TLR9TLR7KITMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |
| EP-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |
| 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 |