Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 16/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 16/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | RPLP1 | P05386 | 1/20 | 0.33 |
| ▸ | RPLP0 | P05388 | 1/20 | 0.33 |
| ▸ | RPS17 | P08708 | 1/20 | 0.33 |
| ▸ | RPSA | P08865 | 1/20 | 0.33 |
| ▸ | RPS2 | P15880 | 1/20 | 0.33 |
| ▸ | RPL35A | P18077 | 1/20 | 0.33 |
| ▸ | RPL7 | P18124 | 1/20 | 0.33 |
| ▸ | RPL17 | P18621 | 1/20 | 0.33 |
| ▸ | RPS4Y1 | P22090 | 1/20 | 0.33 |
| ▸ | RPS3 | P23396 | 1/20 | 0.33 |
| ▸ | RPS12 | P25398 | 1/20 | 0.33 |
| ▸ | RPL13 | P26373 | 1/20 | 0.33 |
| ▸ | RPL10 | P27635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4968669 | 1.00 | CHEK2 (0.41) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4969613 | 0.90 | CHEK2 (0.52) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL238372 | 0.90 | CHEK2 (0.52) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL4971370 | 0.89 | CHEK2 (0.51) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL4971369 | 0.89 | CHEK2 (0.51) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4970389 | 0.87 | CHEK2 (0.47) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| Sulfuric Acid SCHEMBL4972024 | 0.87 | CHEK2 (0.49) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| Sulfuric Acid SCHEMBL4970230 | 0.87 | CHEK2 (0.49) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4968722 | 0.83 | SLC6A2 (0.38) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4968728 | 0.83 | SLC6A2 (0.38) | CHEK2SLC6A2SLC6A4SLC6A3KCNH2 |
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 |