Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.37 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708431 | 0.92 | ADORA1 (0.40) | ADORA1ADORA3ADORA2AADORA2BPDE5A | |
| SCHEMBL9707680 | 0.91 | ADORA3 (0.43) | ADORA1ADORA3ADORA2AADORA2BKDM4E | |
| SCHEMBL9707939 | 0.91 | ADORA3 (0.41) | ADORA1ADORA3ADORA2AADORA2BPDE5A | |
| SCHEMBL9708310 | 0.91 | RAB9A (0.42) | ADORA1ADORA3ADORA2AADORA2BALDH1A1 | |
| SCHEMBL9708311 | 0.89 | ADORA1 (0.42) | ADORA1ADORA3ADORA2AADORA2BPDE5A | |
| SCHEMBL9708819 | 0.88 | ADORA3 (0.44) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL9707841 | 0.86 | ADORA3 (0.44) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL9708262 | 0.85 | HPGD (0.42) | ALDH1A1HPGDTSHRMAPK1HSD17B10 | |
| SCHEMBL9708654 | 0.85 | ADORA3 (0.42) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL9708350 | 0.85 | ADORA3 (0.43) | ADORA1ADORA3ADORA2AADORA2B |
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 |