Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.50 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 9/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | RBP4 | P02753 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5499288 | 1.00 | CHEK2 (0.50) | CHEK2SMAD3CHRM3MEN1KMT2A | |
| SCHEMBL1623570 | 0.86 | CHEK2 (0.55) | CHEK2SMAD3MEN1KMT2ATSHR | |
| SCHEMBL1623569 | 0.86 | CHEK2 (0.55) | CHEK2SMAD3MEN1KMT2ATSHR | |
| SCHEMBL6110464 | 0.84 | CHEK2 (0.49) | CHEK2SMAD3CHRM3MEN1KMT2A | |
| SCHEMBL6110469 | 0.84 | CHEK2 (0.49) | CHEK2SMAD3CHRM3MEN1KMT2A | |
| SCHEMBL4011654 | 0.84 | CHEK2 (0.54) | CHEK2SMAD3MEN1KMT2ATSHR | |
| SCHEMBL4011640 | 0.84 | CHEK2 (0.54) | CHEK2SMAD3MEN1KMT2ATSHR | |
| SCHEMBL1083932 | 0.84 | CHEK2 (0.52) | CHEK2SMAD3MEN1KMT2ATSHR | |
| SCHEMBL1084520 | 0.83 | CHEK2 (0.54) | CHEK2SMAD3MEN1KMT2ATSHR | |
| SCHEMBL1623952 | 0.83 | CHEK2 (0.52) | CHEK2SMAD3MEN1KMT2ATSHR |
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 |