Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 8/20 | 0.92 |
| ▸ | NQO1 | P15559 | 6/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.67 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.67 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.67 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL8470047 | 0.85 | VKORC1 (0.67) | VKORC1NQO1ALDH1A1LMNATP53 | |
| SCHEMBL1648127 | 0.85 | NQO1 (0.83) | VKORC1NQO1ALDH1A1LMNATP53 | |
| SCHEMBL1648186 | 0.84 | NQO1 (1.00) | VKORC1NQO1ALDH1A1LMNATP53 | |
| SCHEMBL3175636 | 0.83 | NQO1 (0.81) | VKORC1NQO1ALDH1A1LMNATP53 | |
| Dicumarol SCHEMBL7454901 | 0.81 | NQO1 (1.00) | VKORC1NQO1ALDH1A1LMNATP53 | |
| Dicumarol SCHEMBL29703314 | 0.81 | NQO1 (1.00) | VKORC1NQO1ALDH1A1LMNATP53 | |
| Dicumarol SCHEMBL33891 | 0.81 | NQO1 (1.00) | VKORC1NQO1ALDH1A1LMNATP53 | |
| SCHEMBL1648171 | 0.80 | NQO1 (0.79) | VKORC1NQO1ALDH1A1LMNATP53 | |
| SCHEMBL29655586 | 0.80 | NQO1 (0.79) | VKORC1NQO1ALDH1A1LMNATP53 | |
| SCHEMBL1649892 | 0.80 | NQO1 (0.79) | VKORC1NQO1ALDH1A1LMNATP53 |
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 |