Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.76 |
| ▸ | NQO1 | P15559 | 8/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.61 |
| ▸ | CRHBP | P24387 | 1/20 | 0.61 |
| ▸ | CASP7 | P55210 | 1/20 | 0.61 |
| ▸ | CASP6 | P55212 | 1/20 | 0.61 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | TOP1 | P11387 | 1/20 | 0.60 |
| ▸ | MGAM | O43451 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | SI | P14410 | 1/20 | 0.54 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8469143 | 0.91 | VKORC1 (0.78) | VKORC1NQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL8336100 | 0.89 | VKORC1 (0.74) | VKORC1NQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL8336582 | 0.89 | VKORC1 (0.74) | VKORC1NQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL8334704 | 0.86 | VKORC1 (0.70) | VKORC1NQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL7349603 | 0.86 | VKORC1 (1.00) | VKORC1NQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL8335689 | 0.85 | VKORC1 (0.69) | VKORC1NQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL7899682 | 0.84 | NQO1 (0.86) | NQO1CYP2C9CRHBPCASP7CASP6 | |
| SCHEMBL310481 | 0.83 | VKORC1 (0.82) | VKORC1NQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL32659670 | 0.83 | VKORC1 (0.82) | VKORC1NQO1CYP2C9CRHBPCASP7 | |
| SCHEMBL4388805 | 0.82 | VKORC1 (0.76) | VKORC1NQO1CYP2C9CRHBPCASP7 |
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 |