Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2539373 | 0.90 | ADORA2A (0.70) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL2539375 | 0.90 | ADORA2A (0.70) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL29448500 | 0.90 | ADORA2A (0.70) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL29499431 | 0.88 | GLA (0.58) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL24304503 | 0.88 | GLA (0.58) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL27123775 | 0.88 | GLA (0.58) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL26979963 | 0.86 | GLA (0.72) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL27125885 | 0.86 | GLA (0.72) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL4456982 | 0.86 | ADORA2A (0.58) | ADORA2AADORA2BADORA1GLA | |
| SCHEMBL4453203 | 0.84 | ADORA2A (0.56) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022079245-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) | 2022-04-21 | — | — | WO | disclosed |