Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782317 | 1.00 | GRM2 (0.37) | GRM2ALDH1A1HTTCYP1A2 | |
| SCHEMBL7781541 | 0.96 | GRM2 (0.33) | GRM2HTT | |
| SCHEMBL7781538 | 0.96 | GRM2 (0.33) | GRM2HTT | |
| SCHEMBL7781491 | 0.88 | GRM2 (0.38) | GRM2ALDH1A1CYP1A2 | |
| SCHEMBL7781494 | 0.88 | GRM2 (0.38) | GRM2ALDH1A1CYP1A2 | |
| SCHEMBL7781466 | 0.88 | GRM2 (0.38) | GRM2ALDH1A1HTTCYP1A2 | |
| SCHEMBL7781470 | 0.88 | GRM2 (0.38) | GRM2ALDH1A1HTTCYP1A2 | |
| SCHEMBL7781743 | 0.87 | THRA (0.36) | — | |
| SCHEMBL7781745 | 0.87 | THRA (0.36) | — | |
| SCHEMBL13402211 | 0.86 | GRM2 (0.41) | GRM2ALDH1A1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0732330-B1 | Di-1,3-dioxane derivatives useful as liquid crystals | ROLIC AG (CH) | 2001-09-12 | — | — | EP | disclosed |
| US-5667721-A | Liquid crystalline di-1,3-dioxane derivatives | ROLIC AG (CH) | 1997-09-16 | — | — | US | disclosed |
| EP-0732330-A1 | Di-1,3-dioxane derivatives useful as liquid crystals | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-18 | — | — | EP | disclosed |