Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 5/20 | 0.46 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1623081 | 1.00 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| SCHEMBL1623784 | 1.00 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| SCHEMBL1623612 | 1.00 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| SCHEMBL1623345 | 1.00 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| SCHEMBL1623926 | 1.00 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| SCHEMBL1623921 | 1.00 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1619921 | 0.99 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1624115 | 0.99 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1623621 | 0.99 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1622926 | 0.99 | CHEK2 (0.46) | CHEK2SMAD3MAPTMEN1KMT2A |
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 |