Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 2/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12273344 | 0.89 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1CYP3A4CYP2D6DHFR | |
| SCHEMBL1767993 | 0.87 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1SCN10A | |
| SCHEMBL1767995 | 0.86 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1DHFRSCN10A | |
| SCHEMBL1768050 | 0.86 | HSP90AA1 (0.45) | HSP90AA1CYP3A4CYP2D6 | |
| SCHEMBL12273403 | 0.84 | HSP90AA1 (0.64) | HSP90AA1CYP3A4CYP2D6DHFRTLR8 | |
| SCHEMBL12273485 | 0.84 | HSP90AA1 (0.47) | HSP90AA1 | |
| SCHEMBL13144854 | 0.80 | HSP90AA1 (0.50) | HSP90AA1CYP3A4CYP2D6DHFR | |
| SCHEMBL13961322 | 0.79 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1CYP3A4CYP2D6DHFR | |
| Bicarbonate SCHEMBL16966269 | 0.77 | EGLN1 (0.40) | HSP90AA1HSP90AB1 | |
| SCHEMBL3096062 | 0.76 | ADORA3 (0.50) | HSP90AA1HSP90AB1CYP3A4CYP2D6 |
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 |