Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 8/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | LYPLA1 | O75608 | 1/20 | 0.32 |
| ▸ | LYPLA2 | O95372 | 1/20 | 0.32 |
| ▸ | ABHD16A | O95870 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7782340 | 1.00 | SPHK2 (0.34) | SPHK2SPHK1ENPP2THRATHRB | |
| SCHEMBL7779555 | 0.99 | SPHK2 (0.33) | SPHK2SPHK1ENPP2THRATHRB | |
| SCHEMBL7779556 | 0.99 | SPHK2 (0.33) | SPHK2SPHK1ENPP2THRATHRB | |
| SCHEMBL7774051 | 0.95 | SLC6A2 (0.33) | SPHK2SPHK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7774048 | 0.95 | SLC6A2 (0.33) | SPHK2SPHK1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7782190 | 0.91 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7782188 | 0.91 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7781718 | 0.90 | SPHK2 (0.37) | SPHK2SPHK1ENPP2THRATHRB | |
| SCHEMBL7781720 | 0.90 | SPHK2 (0.37) | SPHK2SPHK1ENPP2THRATHRB | |
| SCHEMBL7781575 | 0.89 | SIGMAR1 (0.36) | SPHK2SPHK1ENPP2 |
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 |