Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.44 |
| ▸ | AKT1 | P31749 | 3/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 2/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1767995 | 0.87 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1SCN10AALDH1A1 | |
| SCHEMBL12273557 | 0.87 | HSP90AA1 (0.50) | HSP90AA1AKT1HSP90AB1AKT2 | |
| SCHEMBL1767930 | 0.87 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1SCN10A | |
| SCHEMBL1768050 | 0.85 | HSP90AA1 (0.45) | HSP90AA1ALDH1A1 | |
| SCHEMBL12273696 | 0.81 | HSP90AA1 (0.68) | HSP90AA1AKT1HSP90AB1NUDT1ALDH1A1 | |
| SCHEMBL12273083 | 0.81 | HSP90AA1 (0.49) | HSP90AA1 | |
| SCHEMBL12273050 | 0.75 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL12273344 | 0.75 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1 | |
| Bicarbonate SCHEMBL1768007 | 0.74 | EGLN1 (0.41) | HSP90AA1HSP90AB1NUDT1ALDH1A1 | |
| SCHEMBL16271130 | 0.74 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1NUDT1ADORA3MAP4K1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2504314-A1 | QUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011060873-A1 | QUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-05-26 | — | — | WO | disclosed |