Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL7779344 | 1.00 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3DAOSPHK2 | |
| SCHEMBL7782195 | 0.92 | SPHK2 (0.36) | SLC6A2SLC6A4SLC6A3DAOSPHK2 | |
| SCHEMBL7782203 | 0.92 | SPHK2 (0.36) | SLC6A2SLC6A4SLC6A3DAOSPHK2 | |
| SCHEMBL7781718 | 0.91 | SPHK2 (0.37) | SLC6A2SLC6A4SLC6A3DAOSPHK2 | |
| SCHEMBL7781720 | 0.91 | SPHK2 (0.37) | SLC6A2SLC6A4SLC6A3DAOSPHK2 | |
| SCHEMBL7782190 | 0.90 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3DAO | |
| SCHEMBL7782188 | 0.90 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3DAO | |
| SCHEMBL23663894 | 0.87 | CYP17A1 (0.38) | SLC6A2SLC6A4SLC6A3SPHK2SPHK1 | |
| SCHEMBL7779455 | 0.86 | — | — | |
| SCHEMBL7779450 | 0.86 | — | — |
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 |