Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17769114 | 0.92 | ADORA2A (0.55) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17768834 | 0.88 | ADORA2A (0.59) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17769026 | 0.83 | ADORA2A (0.55) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17768728 | 0.83 | ADORA2A (0.55) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17769071 | 0.83 | ADORA2A (0.55) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17768803 | 0.83 | ADORA2A (0.55) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17768718 | 0.82 | ADORA2A (0.55) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17768713 | 0.82 | ADORA2A (0.55) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17778275 | 0.81 | ADORA2A (0.53) | ADORA2AADORA2BADORA1 | |
| SCHEMBL17768693 | 0.81 | ADORA2A (0.70) | ADORA2AADORA2BADORA1 |
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-3220910-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | Merck Sharp & Dohme Corp. (US) | 2017-09-27 | — | — | EP | claimed |
| WO-2016081290-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | WO | claimed |