Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | AHCY | P23526 | 11/20 | 0.50 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9569746 | 1.00 | CYP3A4 (0.52) | CYP3A4AHCYENPP1ADORA2AFGFR1 | |
| SCHEMBL9569754 | 1.00 | CYP3A4 (0.52) | CYP3A4AHCYENPP1ADORA2AFGFR1 | |
| SCHEMBL9569488 | 0.87 | CYP3A4 (0.48) | CYP3A4AHCYENPP1ADORA2AADORA1 | |
| SCHEMBL9569477 | 0.87 | CYP3A4 (0.48) | CYP3A4AHCYENPP1ADORA2AADORA1 | |
| SCHEMBL9569502 | 0.87 | CYP3A4 (0.48) | CYP3A4AHCYENPP1ADORA2AADORA1 | |
| SCHEMBL9294953 | 0.81 | AHCY (0.58) | CYP3A4AHCYADORA2AFGFR1SLC22A6 | |
| SCHEMBL9294967 | 0.81 | AHCY (0.58) | CYP3A4AHCYADORA2AFGFR1SLC22A6 | |
| SCHEMBL9569617 | 0.79 | BLM (0.67) | CYP3A4ALDH1A1 | |
| SCHEMBL9569596 | 0.79 | BLM (0.67) | CYP3A4ALDH1A1 | |
| SCHEMBL9569753 | 0.79 | ADORA2A (0.54) | CYP3A4AHCYADORA2AFGFR1SLC22A6 |
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 | claimed |