Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9841634 | 0.87 | CYP4F2 (0.33) | NQO1CYP4A11CYP4F2MAPTHSD11B1 | |
| Fluoride SCHEMBL9842034 | 0.84 | SCN9A (0.35) | CYP4A11CYP4F2ALDH1A1 | |
| Fluoride SCHEMBL9841332 | 0.83 | SCN9A (0.39) | CYP4A11CYP4F2HSD11B1HSD11B2ALDH1A1 | |
| Fluoride SCHEMBL9841466 | 0.82 | SCN9A (0.38) | CYP4A11CYP4F2HPGD | |
| Fluoride SCHEMBL9841281 | 0.82 | SCN9A (0.38) | CYP4A11CYP4F2HPGD | |
| Fluoride SCHEMBL9841564 | 0.82 | SCN9A (0.38) | CYP4A11CYP4F2HPGD | |
| SCHEMBL9841890 | 0.77 | NQO1 (0.32) | NQO1CYP4A11CYP4F2HSD11B1HSD11B2 | |
| SCHEMBL2643038 | 0.68 | NQO1 (0.74) | NQO1MAPTALDH1A1HPGD | |
| SCHEMBL13185146 | 0.68 | SMN1; SMN2 (0.41) | MAPTALDH1A1HPGD | |
| SCHEMBL15075278 | 0.67 | WDR5 (0.41) | CYP4A11CYP4F2HPGD |
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 |