Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.40 |
| ▸ | PDE5A | O76074 | 3/20 | 0.40 |
| ▸ | PDE4A | P27815 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9708063 | 0.94 | HSD17B10 (0.40) | ADORA3ADORA2AADORA2BADORA1HSD17B10 | |
| SCHEMBL9707595 | 0.94 | PDE5A (0.47) | ADORA3ADORA2APDE5APDE4APDE4B | |
| SCHEMBL9707536 | 0.93 | PDE5A (0.43) | ADORA3ADORA2AADORA1PDE5APDE4A | |
| SCHEMBL9708506 | 0.91 | PDE5A (0.46) | ADORA3ADORA2AADORA2BADORA1PDE5A | |
| SCHEMBL9708546 | 0.90 | PDE5A (0.42) | ADORA3ADORA2AADORA2BADORA1PDE5A | |
| SCHEMBL9708390 | 0.90 | PDE5A (0.41) | ADORA3ADORA2AADORA2BADORA1PDE5A | |
| SCHEMBL9708627 | 0.90 | PDE5A (0.43) | ADORA3ADORA2AADORA2BADORA1PDE5A | |
| SCHEMBL9707782 | 0.90 | AGTR1 (0.45) | ADORA3ADORA2AADORA2BADORA1HSD17B10 | |
| SCHEMBL9708646 | 0.90 | ALOX15 (0.41) | HSD17B10ALOX15AGTR1AGTR2DPP4 | |
| SCHEMBL9707840 | 0.90 | PDE5A (0.42) | ADORA3ADORA2AADORA1PDE5APDE4A |
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 |