Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 6/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708045 | 1.00 | ADORA3 (0.42) | ADORA3ALDH1A1LMNATSHRSMN1; SMN2 | |
| SCHEMBL9707875 | 0.96 | AGTR1 (0.47) | AGTR1AGTR2 | |
| SCHEMBL9707652 | 0.96 | AGTR1 (0.47) | AGTR1AGTR2 | |
| SCHEMBL9707934 | 0.95 | AGTR1 (0.45) | AGTR1AGTR2ADORA1 | |
| SCHEMBL9707903 | 0.95 | AGTR1 (0.43) | ADORA3AGTR1AGTR2ADORA1 | |
| SCHEMBL9708618 | 0.95 | AGTR1 (0.43) | ADORA3AGTR1AGTR2ADORA1 | |
| SCHEMBL9707779 | 0.94 | AGTR1 (0.42) | ADORA3AGTR1AGTR2ADORA1 | |
| SCHEMBL9708415 | 0.93 | AGTR1 (0.43) | AGTR1AGTR2ADORA1 | |
| SCHEMBL9707867 | 0.93 | ADORA3 (0.44) | ADORA3AGTR1AGTR2ADORA2BADORA2A | |
| SCHEMBL9708013 | 0.93 | ADORA3 (0.44) | ADORA3AGTR1AGTR2ADORA2BADORA2A |
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 |