Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.40 |
| ▸ | USP1 | O94782 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707745 | 0.98 | ADORA2A (0.39) | ADORA3USP1ADORA1DCTPP1KDM4E | |
| SCHEMBL9707871 | 0.97 | ADORA3 (0.42) | ADORA3USP1ADORA1DCTPP1KDM4E | |
| SCHEMBL9707508 | 0.95 | ADORA3 (0.42) | ADORA3USP1ADORA1ADORA2AADORA2B | |
| SCHEMBL9707777 | 0.95 | ADORA3 (0.42) | ADORA3USP1ADORA1ADORA2AADORA2B | |
| SCHEMBL9707419 | 0.92 | ADORA3 (0.42) | ADORA3USP1ADORA1DCTPP1KDM4E | |
| SCHEMBL9708021 | 0.92 | ADORA3 (0.42) | ADORA3USP1ADORA1DCTPP1KDM4E | |
| SCHEMBL9707864 | 0.92 | DCTPP1 (0.46) | USP1DCTPP1MEN1KMT2A | |
| SCHEMBL9708054 | 0.92 | USP1 (0.42) | ADORA3USP1DCTPP1ALDH1A1MEN1 | |
| SCHEMBL9708610 | 0.90 | PDE5A (0.43) | ADORA3USP1ADORA2APDE5A | |
| SCHEMBL9708440 | 0.90 | AGTR1 (0.38) | ADORA3USP1DCTPP1ALDH1A1MEN1 |
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 |