Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.30 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9842044 | 0.85 | SCN9A (0.34) | HSD11B1HSD11B2CYP4F2CYP4A11 | |
| SCHEMBL9841333 | 0.84 | SCN9A (0.38) | HSD11B1HSD11B2CYP4F2CYP4A11 | |
| SCHEMBL9841467 | 0.83 | SCN9A (0.37) | HSD11B1HSD11B2CYP4F2CYP4A11 | |
| SCHEMBL9841282 | 0.83 | SCN9A (0.37) | HSD11B1HSD11B2CYP4F2CYP4A11 | |
| SCHEMBL9841568 | 0.83 | SCN9A (0.37) | HSD11B1HSD11B2CYP4F2CYP4A11 | |
| Fluoride SCHEMBL9841887 | 0.77 | NQO1 (0.34) | NQO1HSD11B1HSD11B2CYP4F2CYP4A11 | |
| SCHEMBL9841191 | 0.75 | KDM1A (0.41) | KDM1APDE2A | |
| SCHEMBL1291155 | 0.73 | NQO1 (0.64) | NQO1 | |
| SCHEMBL1291941 | 0.70 | LTA4H (0.50) | NQO1 | |
| SCHEMBL1291918 | 0.66 | NR5A1 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5055223-A | For use in liquid crystal display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-10-08 | — | — | US | disclosed |