Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 2/20 | 0.43 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL859642 | 1.00 | ADORA2A (0.46) | ADORA2AADORA3ADORA2BADORA1TP53 | |
| Benzene SCHEMBL27650186 | 0.87 | PI4KA (0.48) | ADORA2AADORA3ADORA2BADORA1PI4KA | |
| SCHEMBL13269091 | 0.87 | PI4KA (0.45) | ADORA2AADORA3ADORA2BADORA1PI4KA | |
| SCHEMBL5525776 | 0.87 | PI4KA (0.45) | ADORA2AADORA3ADORA2BADORA1PI4KA | |
| SCHEMBL13268818 | 0.87 | PI4KA (0.45) | ADORA2AADORA3ADORA2BADORA1PI4KA | |
| SCHEMBL6829143 | 0.86 | PI4KA (0.48) | ADORA2AADORA3ADORA2BADORA1HIF1A | |
| SCHEMBL29721329 | 0.85 | ADORA3 (0.50) | ADORA2AADORA3ADORA2BADORA1PI4KA | |
| SCHEMBL7435441 | 0.85 | ADORA3 (0.50) | ADORA2AADORA3ADORA2BADORA1PI4KA | |
| SCHEMBL10710442 | 0.85 | ADORA3 (0.46) | ADORA2AADORA3ADORA2BADORA1PI4KA | |
| SCHEMBL2270700 | 0.84 | ADORA2A (0.51) | ADORA2AADORA3ADORA2BADORA1PI4KA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708781-B1 | A 3 ADENOSINE RECEPTOR AGONISTS | USA (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-0708781-A1 | A 3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1996-05-01 | — | — | EP | disclosed |
| WO-1995002604-A1 | A3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-01-26 | — | — | WO | disclosed |