Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL9707578 | 0.98 | DCTPP1 (0.41) | DCTPP1ADORA3KDM4EALDH1A1PKM | |
| SCHEMBL9708292 | 0.95 | ADORA3 (0.42) | DCTPP1ADORA3ADORA2BADORA2AADORA1 | |
| SCHEMBL9707506 | 0.95 | ADORA3 (0.42) | DCTPP1ADORA3ADORA2BADORA2AADORA1 | |
| SCHEMBL9707573 | 0.92 | DCTPP1 (0.51) | DCTPP1ADORA3KDM4EALDH1A1MEN1 | |
| SCHEMBL9708117 | 0.92 | DCTPP1 (0.43) | DCTPP1ADORA3KDM4EALDH1A1PKM | |
| SCHEMBL9709012 | 0.92 | PDE5A (0.42) | ADORA3ADORA2AADORA1 | |
| SCHEMBL9708265 | 0.91 | DCTPP1 (0.41) | DCTPP1ADORA3KDM4EALDH1A1PKM | |
| SCHEMBL9708198 | 0.91 | AGTR1 (0.41) | DCTPP1ADORA3KDM4EALDH1A1PKM | |
| SCHEMBL9708429 | 0.91 | ADORA3 (0.40) | DCTPP1ADORA3KDM4EALDH1A1PKM | |
| SCHEMBL9707398 | 0.90 | PDE5A (0.44) | DCTPP1ADORA3KDM4EALDH1A1PKM |
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 |