Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.72 |
| ▸ | NQO1 | P15559 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.57 |
| ▸ | CTSK | P43235 | 1/20 | 0.57 |
| ▸ | TOP1 | P11387 | 1/20 | 0.55 |
| ▸ | TOP2A | P11388 | 1/20 | 0.54 |
| ▸ | VKORC1 | Q9BQB6 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ALB | P02768 | 1/20 | 0.54 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7356446 | 0.88 | CYP2C9 (0.72) | NQO1CYP2C9TOP1VKORC1KDM4E | |
| SCHEMBL8337124 | 0.87 | CYP2C9 (0.77) | THRBNQO1CYP2C9CTSKTOP1 | |
| SCHEMBL8335244 | 0.85 | THRB (0.78) | THRBNQO1CYP2C9CTSKTOP1 | |
| SCHEMBL8332272 | 0.85 | THRB (0.71) | THRBNQO1CYP2C9CTSKVKORC1 | |
| SCHEMBL8333320 | 0.84 | THRB (0.70) | THRBNQO1CYP2C9CTSKTOP1 | |
| Bromodiolone SCHEMBL29362860 | 0.84 | THRB (1.00) | THRBNQO1CYP2C9CTSKTOP1 | |
| SCHEMBL8523615 | 0.84 | THRB (0.70) | THRBNQO1CYP2C9CTSKVKORC1 | |
| Bromodiolone SCHEMBL433993 | 0.84 | THRB (1.00) | THRBNQO1CYP2C9CTSKTOP1 | |
| SCHEMBL8339057 | 0.83 | THRB (0.69) | THRBNQO1CYP2C9CTSKVKORC1 | |
| SCHEMBL8336582 | 0.82 | VKORC1 (0.74) | THRBNQO1CYP2C9TOP1TOP2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999001446-A1 | NOVEL 4-HYDROXY-2H-1-(THIO)PYRAN-2-ONES DERIVATIVES AND THEIR USE AS RAT POISON | LIPHATEC (FR) | 1999-01-14 | — | — | WO | disclosed |