Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 16/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 7/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4969100 | 1.00 | CHEK2 (0.54) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4969613 | 0.90 | CHEK2 (0.52) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL238372 | 0.90 | CHEK2 (0.52) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL4971369 | 0.89 | CHEK2 (0.51) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL4971370 | 0.89 | CHEK2 (0.51) | CHEK2CHEK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5505763 | 0.88 | CHEK2 (0.62) | CHEK2CHEK1KMT2A | |
| SCHEMBL4968971 | 0.88 | CHEK2 (0.62) | CHEK2CHEK1KMT2A | |
| SCHEMBL6111032 | 0.88 | CHEK2 (0.62) | CHEK2CHEK1KMT2A | |
| Hydrochloric Acid SCHEMBL4969202 | 0.87 | CHEK2 (0.61) | CHEK2CHEK1KMT2A | |
| Sulfuric Acid SCHEMBL4972024 | 0.87 | CHEK2 (0.49) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |