Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHCY | P23526 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.39 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9569662 | 1.00 | AHCY (0.40) | AHCYCYP3A4ADORA2AADORA1ENPP1 | |
| SCHEMBL9569672 | 1.00 | AHCY (0.40) | AHCYCYP3A4ADORA2AADORA1ENPP1 | |
| SCHEMBL9569622 | 0.86 | AHCY (0.44) | AHCYCYP3A4ADORA2AADORA1ENPP1 | |
| SCHEMBL9569676 | 0.86 | AHCY (0.44) | AHCYCYP3A4ADORA2AADORA1ENPP1 | |
| SCHEMBL9569653 | 0.86 | AHCY (0.44) | AHCYCYP3A4ADORA2AADORA1ENPP1 | |
| SCHEMBL9569667 | 0.83 | ADORA2A (0.55) | AHCYCYP3A4ADORA2AADORA1PI4KA | |
| SCHEMBL9569675 | 0.83 | ADORA2A (0.55) | AHCYCYP3A4ADORA2AADORA1PI4KA | |
| SCHEMBL9569684 | 0.83 | ADORA2A (0.55) | AHCYCYP3A4ADORA2AADORA1PI4KA | |
| SCHEMBL9569526 | 0.82 | ADORA2A (0.50) | AHCYCYP3A4ADORA2AADORA1PI4KA | |
| SCHEMBL9569515 | 0.82 | ADORA2A (0.50) | AHCYCYP3A4ADORA2AADORA1PI4KA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0532423-A1 | Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-03-17 | — | — | EP | disclosed |