Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 10/20 | 0.50 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6174038 | 0.90 | CYP2C9 (0.47) | CYP2C9VKORC1ALDH1A1KDM4EALB | |
| SCHEMBL6173151 | 0.88 | CYP2C9 (0.52) | CYP2C9VKORC1ALDH1A1KDM4EALB | |
| SCHEMBL6174596 | 0.88 | CYP2C9 (0.51) | CYP2C9VKORC1ALDH1A1KDM4EALB | |
| SCHEMBL6172059 | 0.87 | CYP2C9 (0.54) | CYP2C9VKORC1ALDH1A1KDM4EALB | |
| Benzene SCHEMBL27347783 | 0.86 | CYP2C9 (0.56) | CYP2C9VKORC1ALDH1A1KDM4EALB | |
| SCHEMBL6173305 | 0.83 | CYP2C9 (0.50) | CYP2C9MAPTELANE | |
| SCHEMBL6173428 | 0.82 | CYP2C9 (0.47) | CYP2C9VKORC1ALDH1A1KDM4EALB | |
| SCHEMBL6172943 | 0.82 | CYP2C9 (0.49) | CYP2C9VKORC1ALDH1A1KDM4EALB | |
| SCHEMBL6173773 | 0.81 | CYP2C9 (0.46) | CYP2C9MAPT | |
| SCHEMBL6172240 | 0.81 | CYP2C9 (0.53) | CYP2C9VKORC1ALDH1A1KDM4EALB |
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-B1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | UPJOHN CO (US) | 2002-09-11 | — | — | EP | claimed |