Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7774417 | 0.97 | CYP11B1 (0.37) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL7782313 | 0.93 | CYP11B1 (0.39) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL10349795 | 0.93 | CYP11B1 (0.42) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL10768678 | 0.90 | CYP11B1 (0.40) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL10350015 | 0.90 | CYP11B1 (0.41) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL9556003 | 0.89 | CYP11B1 (0.39) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL9555999 | 0.89 | CYP11B1 (0.39) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL10501859 | 0.89 | CYP11B1 (0.40) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL10501185 | 0.89 | CYP11B1 (0.40) | CYP11B1CYP11B2TRPV4 | |
| SCHEMBL10502378 | 0.89 | CYP11B1 (0.40) | CYP11B1CYP11B2TRPV4 |
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 |