Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 2/20 | 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 SCHEMBL9841265 | 0.96 | ESR2 (0.33) | ESR2CYP1A2TLR4 | |
| Fluoride SCHEMBL9841615 | 0.95 | GAA (0.34) | ESR2CYP1A2 | |
| Fluoride SCHEMBL9841353 | 0.95 | GAA (0.34) | ESR2CYP1A2 | |
| Fluoride SCHEMBL9841213 | 0.92 | TLR4 (0.36) | ESR2TLR4 | |
| SCHEMBL11154305 | 0.88 | ESR2 (0.38) | ESR2CYP1A2TLR4 | |
| SCHEMBL11068233 | 0.88 | ESR2 (0.38) | ESR2CYP1A2TLR4 | |
| Fluoride SCHEMBL9841246 | 0.87 | ESR2 (0.37) | ESR2 | |
| SCHEMBL11157761 | 0.86 | SLC6A3 (0.35) | ESR2CYP1A2TLR4 | |
| SCHEMBL11157763 | 0.86 | SLC6A3 (0.35) | ESR2CYP1A2TLR4 | |
| SCHEMBL11155920 | 0.86 | ESR2 (0.35) | ESR2CYP1A2TLR4 |
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 |