Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.38 |
| ▸ | USP1 | O94782 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708314 | 0.93 | ADORA2B (0.38) | ADORA2BADORA2AADORA1ADORA3PPARG | |
| SCHEMBL9708226 | 0.93 | AGTR1 (0.38) | ADORA2BADORA3PPARGAGTR1AGTR2 | |
| SCHEMBL9708640 | 0.91 | USP1 (0.42) | PPARGUSP1 | |
| SCHEMBL9707736 | 0.91 | ADORA3 (0.42) | ADORA2BADORA1ADORA3PPARGUSP1 | |
| SCHEMBL9707407 | 0.91 | GPR18 (0.39) | PPARGAGTR1AGTR2USP1 | |
| SCHEMBL9708605 | 0.89 | ADORA2B (0.42) | ADORA2BADORA2AADORA1ADORA3AGTR1 | |
| SCHEMBL9708079 | 0.88 | AGTR1 (0.44) | ADORA2BADORA2AADORA1ADORA3AGTR1 | |
| SCHEMBL9707357 | 0.88 | ADORA2A (0.41) | ADORA2BADORA2AADORA1ADORA3PPARG | |
| SCHEMBL9708528 | 0.87 | AGTR1 (0.46) | ADORA2BADORA2AADORA1AGTR1AGTR2 | |
| SCHEMBL9707560 | 0.87 | PPARG (0.42) | PPARGAGTR1AGTR2USP1 |
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-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |