Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5503397 | 0.87 | MEN1 (0.46) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL1084063 | 0.85 | SMAD3 (0.52) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL5503394 | 0.84 | CHEK2 (0.47) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL1084462 | 0.84 | TSHR (0.58) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL1084224 | 0.83 | SMAD3 (0.54) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL6110464 | 0.83 | CHEK2 (0.49) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL6110469 | 0.83 | CHEK2 (0.49) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL1624407 | 0.83 | CHEK2 (0.55) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL1621898 | 0.83 | CHEK2 (0.55) | CHEK2MEN1KMT2ASMAD3MAPT | |
| SCHEMBL1621902 | 0.83 | CHEK2 (0.55) | CHEK2MEN1KMT2ASMAD3MAPT |
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 |