Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 9/20 | 0.56 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173192 | 0.82 | CYP2C9 (0.56) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL6172059 | 0.75 | CYP2C9 (0.54) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL6176033 | 0.74 | CYP2C9 (0.54) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL8537177 | 0.74 | CYP2C9 (0.51) | CYP2C9PTGESNQO1VKORC1KDM4E | |
| SCHEMBL7489325 | 0.73 | CYP2C9 (0.52) | CYP2C9VKORC1KDM4EALDH1A1ALB | |
| Phenprocoumon SCHEMBL24500472 | 0.72 | CYP2C9 (1.00) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL29392123 | 0.72 | CYP2C9 (1.00) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL24500477 | 0.72 | CYP2C9 (1.00) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL43031 | 0.72 | CYP2C9 (1.00) | CYP2C9NQO1VKORC1KDM4EALDH1A1 | |
| SCHEMBL6174622 | 0.72 | CYP2C9 (0.61) | CYP2C9NQO1VKORC1KDM4EALDH1A1 |
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 2 patents. 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 |
| 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 | disclosed |