Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 12/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.42 |
| ▸ | CASR | P41180 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL183891 | 0.80 | KMT2A (0.42) | CHEK2CHEK1MEN1KMT2A | |
| SCHEMBL1622841 | 0.74 | SMAD3 (0.58) | CHEK2MEN1KMT2AADORA2ASMAD3 | |
| SCHEMBL13769227 | 0.73 | ADORA2A (0.51) | CASRMEN1KMT2AADORA2ASMAD3 | |
| SCHEMBL184144 | 0.73 | ALK (0.49) | CASRMEN1KMT2AADORA2ASMAD3 | |
| SCHEMBL1084152 | 0.70 | TSHR (0.53) | CHEK2CASRMEN1KMT2ANTRK1 | |
| SCHEMBL1084266 | 0.70 | MEN1 (0.53) | CHEK2CHEK1MEN1KMT2ANTRK1 | |
| SCHEMBL12721527 | 0.70 | SMAD3 (0.73) | CHEK2MEN1KMT2AADORA2ASMAD3 | |
| SCHEMBL1084363 | 0.69 | MEN1 (0.67) | CHEK2CHEK1MEN1KMT2A | |
| SCHEMBL5503743 | 0.68 | CHEK2 (0.58) | CHEK2CHEK1 | |
| SCHEMBL4969225 | 0.68 | CHEK2 (0.58) | CHEK2CHEK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957482-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | claimed |
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | claimed |
| EP-1957482-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | disclosed |