Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9707502 | 0.98 | ADORA1 (0.42) | ADORA1ADORA2AADORA3AGTR1AGTR2 | |
| SCHEMBL9708556 | 0.96 | ADORA3 (0.42) | ADORA1ADORA3AGTR1AGTR2MAPT | |
| SCHEMBL9708001 | 0.94 | ADORA3 (0.47) | ADORA1ADORA2AADORA3AGTR1AGTR2 | |
| SCHEMBL9707601 | 0.94 | ADORA3 (0.47) | ADORA1ADORA2AADORA3AGTR1AGTR2 | |
| SCHEMBL9707902 | 0.93 | HPGD (0.43) | AGTR1AGTR2MAPTCRHBPCRHR2 | |
| SCHEMBL9708350 | 0.93 | ADORA3 (0.43) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL9708609 | 0.91 | POLB (0.44) | ADORA3MAPTCRHBPCRHR2NPSR1 | |
| SCHEMBL9707419 | 0.91 | ADORA3 (0.42) | ADORA1ADORA2AADORA3AGTR1ADORA2B | |
| SCHEMBL9708021 | 0.91 | ADORA3 (0.42) | ADORA1ADORA2AADORA3AGTR1ADORA2B | |
| SCHEMBL9707755 | 0.91 | MAPT (0.38) | ADORA1ADORA3AGTR1AGTR2MAPT |
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 |