Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707691 | 0.98 | ADORA3 (0.42) | ADORA3ADORA1ADORA2AADORA2BAGTR1 | |
| SCHEMBL9707423 | 0.92 | ADORA3 (0.42) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL9707701 | 0.91 | ADORA1 (0.44) | ADORA3ADORA1ADORA2AADORA2BAGTR1 | |
| SCHEMBL9708732 | 0.91 | ADORA3 (0.43) | ADORA3ADORA1AGTR1AGTR2 | |
| SCHEMBL9708336 | 0.90 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2BAGTR1 | |
| SCHEMBL9707551 | 0.90 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2BAGTR1 | |
| SCHEMBL9708836 | 0.90 | HPGD (0.47) | LMNAMAPK1NPSR1AGTR1AGTR2 | |
| SCHEMBL9708813 | 0.90 | RAB9A (0.44) | ADORA3ADORA1ADORA2AADORA2BLMNA | |
| SCHEMBL9707531 | 0.90 | ADORA1 (0.43) | ADORA3ADORA1AGTR1AGTR2 | |
| SCHEMBL9708429 | 0.90 | ADORA3 (0.40) | ADORA3ADORA1MEN1KMT2A |
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 |