Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.35 |
| ▸ | NQO1 | P15559 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6176220 | 0.87 | VKORC1 (0.37) | VKORC1CYP2C9NQO1HSD17B10KDM4E | |
| SCHEMBL27333913 | 0.86 | VKORC1 (0.36) | VKORC1CYP2C9NQO1HSD17B10KDM4E | |
| SCHEMBL6174524 | 0.86 | CYP2C9 (0.36) | VKORC1CYP2C9NQO1 | |
| SCHEMBL9198737 | 0.83 | CYP2C9 (0.34) | VKORC1CYP2C9NQO1 | |
| SCHEMBL6175580 | 0.82 | IDO1 (0.39) | — | |
| SCHEMBL7401494 | 0.81 | CYP2C9 (0.36) | VKORC1CYP2C9 | |
| SCHEMBL6177695 | 0.81 | CYP2C9 (0.38) | VKORC1CYP2C9NQO1HSD17B10ALDH1A1 | |
| SCHEMBL6174697 | 0.81 | HTR2B (0.43) | VKORC1CYP2C9KDM4ECYP3A4 | |
| SCHEMBL9198709 | 0.81 | CYP2C9 (0.40) | VKORC1CYP2C9NQO1HSD17B10KDM4E | |
| SCHEMBL6178504 | 0.81 | HPGD (0.33) | VKORC1CYP2C9HSD17B10KDM4EALDH1A1 |
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 |