Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708050 | 0.98 | ADORA2A (0.39) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL9708153 | 0.95 | ADORA3 (0.40) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL9708058 | 0.95 | ADORA3 (0.40) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL9708824 | 0.93 | ADORA3 (0.41) | ADORA3ADORA2AADORA2BDCTPP1KDM4E | |
| SCHEMBL9708259 | 0.93 | ADORA3 (0.41) | ADORA3ADORA2AADORA2BDCTPP1KDM4E | |
| SCHEMBL9708628 | 0.92 | USP2 (0.41) | ADORA3ADORA2AADORA2BDCTPP1ALDH1A1 | |
| SCHEMBL9707714 | 0.92 | DCTPP1 (0.44) | ADORA2AADORA2BDCTPP1ALDH1A1MEN1 | |
| SCHEMBL9708283 | 0.92 | ADORA3 (0.41) | ADORA3ADORA2AADORA2BADORA1AGTR1 | |
| SCHEMBL9708198 | 0.92 | AGTR1 (0.41) | ADORA3ADORA2AADORA2BADORA1DCTPP1 | |
| SCHEMBL9708161 | 0.92 | ADORA1 (0.43) | ADORA3ADORA2AADORA2BADORA1AGTR1 |
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 |