Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5507237 | 0.88 | MAPT (0.53) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL5503423 | 0.85 | ALDH1A1 (0.52) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL5504508 | 0.84 | ALDH1A1 (0.49) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL1084914 | 0.83 | MAPT (0.56) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL5504311 | 0.83 | KMT2A (0.53) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL5500371 | 0.83 | KMT2A (0.53) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL1084705 | 0.82 | KMT2A (0.59) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL1622993 | 0.82 | MEN1 (0.53) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL5505266 | 0.82 | MAPT (0.51) | ALDH1A1MAPTTSHRL3MBTL1KMT2A | |
| SCHEMBL1084556 | 0.82 | ALDH1A1 (0.78) | ALDH1A1MAPTTSHRL3MBTL1KMT2A |
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 |