Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ATR | Q13535 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 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 | |
|---|---|---|---|---|
| SCHEMBL3096062 | 0.89 | ADORA3 (0.50) | ADORA3NUDT1HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL13144396 | 0.87 | ADORA3 (0.48) | ADORA3NUDT1HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL3094124 | 0.87 | ADORA3 (0.48) | ADORA3NUDT1HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL3087920 | 0.86 | ADORA3 (0.52) | ADORA3ADORA2AADORA1NUDT1HSP90AA1 | |
| SCHEMBL16628723 | 0.86 | ADORA3 (0.51) | ADORA3ADORA2AADORA1NUDT1HSP90AA1 | |
| SCHEMBL3093656 | 0.85 | KMT2A (0.54) | ADORA3ADORA2AADORA1NUDT1HSP90AA1 | |
| SCHEMBL3081057 | 0.84 | CYP3A4 (0.53) | ADORA3MEN1KMT2A | |
| SCHEMBL13144400 | 0.84 | MEN1 (0.60) | ADORA3NUDT1MEN1KMT2A | |
| SCHEMBL3075153 | 0.83 | ADORA3 (0.57) | ADORA3ADORA2ANUDT1HSP90AA1HSP90AB1 | |
| SCHEMBL3088200 | 0.83 | NUDT1 (0.53) | ADORA3ADORA2AADORA1NUDT1HSP90AA1 |
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-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | claimed |
| EP-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | disclosed |