Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7781725 | 1.00 | CYP1A2 (0.39) | CYP1A2ALDH1A1EPHX1NOS1NOS2 | |
| SCHEMBL7781518 | 0.94 | ALDH1A1 (0.45) | CYP1A2ALDH1A1EPHX1 | |
| SCHEMBL7781520 | 0.94 | ALDH1A1 (0.45) | CYP1A2ALDH1A1EPHX1 | |
| SCHEMBL7781592 | 0.90 | CYP1A2 (0.40) | CYP1A2ALDH1A1EPHX1NOS1NOS2 | |
| SCHEMBL7781589 | 0.90 | CYP1A2 (0.40) | CYP1A2ALDH1A1EPHX1NOS1NOS2 | |
| SCHEMBL7779204 | 0.88 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL7779199 | 0.88 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL7779312 | 0.86 | ALDH1A1 (0.54) | CYP1A2ALDH1A1EPHX1SMN1; SMN2 | |
| SCHEMBL7779306 | 0.86 | ALDH1A1 (0.54) | CYP1A2ALDH1A1EPHX1SMN1; SMN2 | |
| SCHEMBL7779280 | 0.85 | ALDH1A1 (0.52) | CYP1A2ALDH1A1EPHX1NOS1NOS2 |
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 |