Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL29475939 | 0.85 | ADORA2A (0.57) | ADORA2AADORA2B | |
| SCHEMBL30989988 | 0.85 | ADORA2A (0.57) | ADORA2AADORA2B | |
| SCHEMBL20585154 | 0.80 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL18384431 | 0.80 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL21996410 | 0.79 | ADORA2A (0.45) | ADORA2AADORA2B | |
| SCHEMBL21996413 | 0.79 | ADORA2A (0.45) | ADORA2AADORA2B | |
| SCHEMBL30989971 | 0.79 | ADORA2A (0.45) | ADORA2AADORA2B | |
| SCHEMBL30989935 | 0.79 | ADORA2A (0.45) | ADORA2AADORA2B | |
| SCHEMBL23210494 | 0.76 | ADORA2A (1.00) | ADORA2AADORA2B | |
| SCHEMBL22061168 | 0.76 | ADORA2A (1.00) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3886988-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020112700-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2020-06-04 | — | — | WO | disclosed |