Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.37 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9199422 | 0.94 | CYP2C9 (0.35) | CYP2C9VKORC1 | |
| SCHEMBL9198709 | 0.88 | CYP2C9 (0.40) | CYP2C9VKORC1NQO1 | |
| SCHEMBL6177695 | 0.87 | CYP2C9 (0.38) | CYP2C9VKORC1NQO1 | |
| SCHEMBL9195090 | 0.85 | VKORC1 (0.36) | CYP2C9VKORC1 | |
| SCHEMBL9194038 | 0.84 | CYP2C9 (0.38) | CYP2C9VKORC1NQO1 | |
| SCHEMBL9195012 | 0.84 | CYP2C9 (0.33) | CYP2C9VKORC1NQO1 | |
| SCHEMBL9199339 | 0.84 | ELANE (0.47) | — | |
| SCHEMBL9201135 | 0.84 | ELANE (0.47) | — | |
| SCHEMBL6175617 | 0.83 | ELANE (0.33) | CYP2C9VKORC1NQO1 | |
| SCHEMBL6174697 | 0.82 | HTR2B (0.43) | CYP2C9VKORC1 |
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-0668860-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-30 | — | — | EP | claimed |