Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | TSPO | P30536 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3081057 | 0.92 | CYP3A4 (0.53) | ADORA3 | |
| SCHEMBL3087952 | 0.89 | APP (0.48) | APPNUDT1 | |
| SCHEMBL16628732 | 0.87 | APP (0.52) | ADORA3APP | |
| SCHEMBL16628815 | 0.87 | ADORA3 (0.58) | ADORA3APP | |
| SCHEMBL13180096 | 0.87 | CYP3A4 (0.47) | ADORA3APPNUDT1 | |
| SCHEMBL13144381 | 0.84 | ADORA3 (0.47) | ADORA3 | |
| SCHEMBL13144394 | 0.84 | KDM4E (0.48) | ADORA3NUDT1 | |
| SCHEMBL16628743 | 0.83 | ADORA3 (0.47) | ADORA3ALDH1A1NUDT1 | |
| SCHEMBL16628717 | 0.82 | LMNA (0.50) | — | |
| SCHEMBL3087920 | 0.82 | ADORA3 (0.52) | ADORA3TSPOAPPALDH1A1SMN1; SMN2 |
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 |