Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.46 |
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 | 0.89 | CYP3A4 (0.53) | ADORA3MEN1KMT2A | |
| SCHEMBL16628770 | 0.88 | HPGD (0.55) | ADORA3MEN1KMT2AAPPADORA2A | |
| SCHEMBL16628712 | 0.87 | ADORA3 (0.56) | ADORA3APP | |
| SCHEMBL3087952 | 0.86 | APP (0.48) | KMT2AAPPTDP1 | |
| SCHEMBL13180096 | 0.84 | CYP3A4 (0.47) | ADORA3APP | |
| SCHEMBL16628750 | 0.82 | NPC1 (0.63) | ADORA3MEN1KMT2AADORA2ATDP1 | |
| SCHEMBL13144381 | 0.81 | ADORA3 (0.47) | ADORA3LIMK2 | |
| SCHEMBL13144394 | 0.81 | KDM4E (0.48) | ADORA3KMT2A | |
| SCHEMBL16628717 | 0.80 | LMNA (0.50) | MEN1KMT2ATDP1CLK1 | |
| SCHEMBL16628732 | 0.80 | APP (0.52) | ADORA3MEN1KMT2AAPPADORA2A |
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 |