Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3089574 | 0.87 | MEN1 (0.52) | ADORA3NPC1ALDH1A1HPGDHSP90AA1 | |
| SCHEMBL16628750 | 0.85 | NPC1 (0.63) | ADORA3NPC1CYP1A2HSD17B10ADORA2A | |
| SCHEMBL3081057 | 0.85 | CYP3A4 (0.53) | ADORA3 | |
| SCHEMBL16628712 | 0.83 | ADORA3 (0.56) | ADORA3NUDT1ALDH1A1 | |
| SCHEMBL3087920 | 0.82 | ADORA3 (0.52) | ADORA3NUDT1ALDH1A1CYP1A2HPGD | |
| SCHEMBL13144371 | 0.80 | ADORA2A (0.49) | ADORA3ALDH1A1CYP1A2HSP90AA1ADORA2A | |
| SCHEMBL16628732 | 0.80 | APP (0.52) | ADORA3CYP1A2HPGDHSD17B10HSP90AA1 | |
| SCHEMBL3096062 | 0.80 | ADORA3 (0.50) | ADORA3NUDT1ALDH1A1CYP1A2HPGD | |
| SCHEMBL16628740 | 0.80 | ADORA3 (0.50) | ADORA3NUDT1ALDH1A1CYP1A2HPGD | |
| SCHEMBL3087952 | 0.80 | APP (0.48) | NUDT1 |
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 |