Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15846398 | 0.83 | ADORA2A (0.42) | ADORA2AADORA1KCNH2 | |
| SCHEMBL17897255 | 0.74 | ADORA2A (0.41) | ADORA2AADORA1KCNH2ADORA2B | |
| SCHEMBL15858051 | 0.74 | ADORA2A (0.49) | ADORA2AADORA1KCNH2ADORA2B | |
| SCHEMBL15846219 | 0.73 | ADORA2A (0.41) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15845649 | 0.72 | ADORA2A (0.44) | ADORA2AADORA2B | |
| SCHEMBL15858961 | 0.69 | ADORA2A (0.43) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15858032 | 0.66 | ADORA2A (0.44) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15858030 | 0.66 | ADORA2A (0.43) | ADORA2AADORA1KCNH2 | |
| SCHEMBL17897239 | 0.63 | ADORA2A (0.44) | ADORA2AADORA1KCNH2ADORA2B | |
| SCHEMBL17897295 | 0.63 | ADORA2A (0.50) | ADORA2AADORA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2945632-B1 | HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS SUITABLE FOR TREATMENT OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS | MERCK SHARP & DOHME (US) | 2018-03-07 | — | — | EP | disclosed |