Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084633 | 0.92 | MEN1 (0.56) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL13342690 | 0.92 | SMAD3 (0.54) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL12721577 | 0.89 | SMAD3 (0.51) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL12721527 | 0.88 | SMAD3 (0.73) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL1084788 | 0.87 | MEN1 (0.55) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL1084221 | 0.87 | SMAD3 (0.58) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL14406118 | 0.87 | SMAD3 (0.58) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL1623323 | 0.85 | MEN1 (0.50) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL1623327 | 0.85 | MEN1 (0.50) | SMAD3MEN1KMT2AMAPTTSHR | |
| SCHEMBL12721010 | 0.85 | MEN1 (0.50) | SMAD3MEN1KMT2AMAPTTSHR |
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 |