Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 19/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 15/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL18948519 | 0.84 | ADORA2A (0.61) | ADORA2AADORA1KCNH2 | |
| SCHEMBL17897304 | 0.84 | ADORA2A (0.77) | ADORA2AADORA1KCNH2 | |
| SCHEMBL19003509 | 0.81 | ADORA2A (1.00) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15858112 | 0.81 | ADORA2A (1.00) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15858110 | 0.81 | ADORA2A (1.00) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15845614 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15847766 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15858100 | 0.80 | ADORA2A (1.00) | ADORA2AADORA1KCNH2 | |
| SCHEMBL17897299 | 0.80 | ADORA2A (1.00) | ADORA2AADORA1KCNH2 | |
| SCHEMBL15858105 | 0.80 | ADORA2A (1.00) | ADORA2AADORA1KCNH2 |
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-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |