Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 18/20 | 0.80 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.80 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.80 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.71 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL21779333 | 1.00 | ADORA3 (0.80) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL21779297 | 1.00 | ADORA3 (0.80) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL20122057 | 1.00 | ADORA3 (0.80) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL19503462 | 1.00 | ADORA3 (0.80) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL29524299 | 0.89 | ADORA3 (1.00) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL16361558 | 0.89 | ADORA3 (1.00) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL21779332 | 0.89 | ADORA3 (1.00) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL19464922 | 0.89 | ADORA3 (1.00) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL31061297 | 0.89 | ADORA3 (1.00) | ADORA3ABCG2KCNH2ADORA2AADORA1 | |
| SCHEMBL10322552 | 0.89 | ADORA3 (1.00) | ADORA3ABCG2KCNH2ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9963450-B2 | A3 adenosine receptor agonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2018-05-08 | — | — | US | disclosed |