Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 10/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | RPLP1 | P05386 | 3/20 | 0.33 |
| ▸ | RPLP0 | P05388 | 3/20 | 0.33 |
| ▸ | RPS17 | P08708 | 3/20 | 0.33 |
| ▸ | RPSA | P08865 | 3/20 | 0.33 |
| ▸ | RPS2 | P15880 | 3/20 | 0.33 |
| ▸ | RPL35A | P18077 | 3/20 | 0.33 |
| ▸ | RPL7 | P18124 | 3/20 | 0.33 |
| ▸ | RPL17 | P18621 | 3/20 | 0.33 |
| ▸ | RPS4Y1 | P22090 | 3/20 | 0.33 |
| ▸ | RPS3 | P23396 | 3/20 | 0.33 |
| ▸ | RPS12 | P25398 | 3/20 | 0.33 |
| ▸ | RPL13 | P26373 | 3/20 | 0.33 |
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 | 1.00 | CHEK2 (0.45) | CHEK2SLC6A2SLC6A4SLC6A3CHEK1 | |
| Hydrochloric Acid SCHEMBL4968875 | 0.99 | CHEK2 (0.44) | CHEK2SLC6A2SLC6A4SLC6A3CHEK1 | |
| SCHEMBL5507375 | 0.95 | CHEK2 (0.41) | CHEK2SLC6A2SLC6A4SLC6A3CHEK1 | |
| SCHEMBL4968728 | 0.87 | SLC6A2 (0.38) | CHEK2SLC6A2SLC6A4SLC6A3CHEK1 | |
| SCHEMBL237761 | 0.87 | CHEK2 (0.39) | CHEK2SLC6A2SLC6A4SLC6A3CHEK1 | |
| SCHEMBL4969132 | 0.87 | CHEK2 (0.39) | CHEK2SLC6A2SLC6A4SLC6A3CHEK1 | |
| SCHEMBL4968722 | 0.87 | SLC6A2 (0.38) | CHEK2SLC6A2SLC6A4SLC6A3CHEK1 | |
| SCHEMBL5505763 | 0.86 | CHEK2 (0.62) | CHEK2CHEK1 | |
| SCHEMBL6111032 | 0.86 | CHEK2 (0.62) | CHEK2CHEK1 | |
| SCHEMBL4968971 | 0.86 | CHEK2 (0.62) | CHEK2CHEK1 |
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 |