Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.46 |
| ▸ | AHCY | P23526 | 8/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PI4KA | P42356 | 1/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9569488 | 1.00 | CYP3A4 (0.48) | CYP3A4ENPP1AHCYADORA2ACYP2D6 | |
| SCHEMBL9569502 | 1.00 | CYP3A4 (0.48) | CYP3A4ENPP1AHCYADORA2ACYP2D6 | |
| SCHEMBL9569736 | 0.87 | CYP3A4 (0.52) | CYP3A4ENPP1AHCYADORA2AADORA1 | |
| SCHEMBL9569754 | 0.87 | CYP3A4 (0.52) | CYP3A4ENPP1AHCYADORA2AADORA1 | |
| SCHEMBL9569746 | 0.87 | CYP3A4 (0.52) | CYP3A4ENPP1AHCYADORA2AADORA1 | |
| SCHEMBL9569538 | 0.82 | ADORA2A (0.48) | CYP3A4AHCYADORA2AADORA1PI4KA | |
| SCHEMBL9569562 | 0.82 | ADORA2A (0.48) | CYP3A4AHCYADORA2AADORA1PI4KA | |
| SCHEMBL9569546 | 0.82 | ADORA2A (0.48) | CYP3A4AHCYADORA2AADORA1PI4KA | |
| SCHEMBL9569675 | 0.82 | ADORA2A (0.55) | CYP3A4AHCYADORA2ACYP2D6ADORA1 | |
| SCHEMBL9569667 | 0.82 | ADORA2A (0.55) | CYP3A4AHCYADORA2ACYP2D6ADORA1 |
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 |