Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | NQO1 | P15559 | 11/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CRHBP | P24387 | 1/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.60 |
| ▸ | CASP6 | P55212 | 1/20 | 0.60 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | TOP1 | P11387 | 1/20 | 0.60 |
| ▸ | TOP2A | P11388 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL7362123 | 0.96 | NQO1 (0.64) | THRBNQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL8336582 | 0.88 | VKORC1 (0.74) | THRBNQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL7355322 | 0.86 | VKORC1 (0.74) | NQO1CYP2C9CRHBPCASP7CASP6 | |
| SCHEMBL8335244 | 0.84 | THRB (0.78) | THRBNQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL12028810 | 0.83 | NQO1 (0.86) | NQO1CYP2C9CRHBPCASP7CASP6 | |
| SCHEMBL8337124 | 0.83 | CYP2C9 (0.77) | THRBNQO1CYP2C9TOP1KDM4E | |
| SCHEMBL8523615 | 0.83 | THRB (0.70) | THRBNQO1CYP2C9KDM4EPOLB | |
| SCHEMBL8332272 | 0.81 | THRB (0.71) | THRBNQO1CYP2C9KDM4EVKORC1 | |
| SCHEMBL8333320 | 0.81 | THRB (0.70) | THRBNQO1CYP2C9TOP1TOP2A | |
| SCHEMBL8334663 | 0.80 | THRB (0.72) | 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 |