Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 SCHEMBL9841281 | 0.99 | SCN9A (0.38) | SCN9ASTSNR5A1LTA4HMEN1 | |
| Fluoride SCHEMBL9841466 | 0.99 | SCN9A (0.38) | SCN9ASTSNR5A1LTA4HMEN1 | |
| Fluoride SCHEMBL9841564 | 0.99 | SCN9A (0.38) | SCN9ASTSNR5A1LTA4HMEN1 | |
| Fluoride SCHEMBL9842034 | 0.95 | SCN9A (0.35) | SCN9ASTSNR5A1LTA4HMEN1 | |
| Fluoride SCHEMBL9841634 | 0.89 | CYP4F2 (0.33) | MEN1KMT2ACYP4F2CYP4A11HSD11B1 | |
| Fluoride SCHEMBL9841887 | 0.83 | NQO1 (0.34) | ALDH1A1CYP4F2CYP4A11HSD11B1HSD11B2 | |
| SCHEMBL9841333 | 0.80 | SCN9A (0.38) | SCN9ASTSNR5A1LTA4HMEN1 | |
| SCHEMBL9841282 | 0.79 | SCN9A (0.37) | SCN9ASTSNR5A1LTA4HMEN1 | |
| SCHEMBL9841568 | 0.79 | SCN9A (0.37) | SCN9ASTSNR5A1LTA4HMEN1 | |
| SCHEMBL9841467 | 0.79 | SCN9A (0.37) | SCN9ASTSNR5A1LTA4HMEN1 |
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 |