Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427609 | 0.86 | ALDH1A1 (0.56) | ALDH1A1CYP2C19LMNA | |
| SCHEMBL1317473 | 0.79 | ALDH1A1 (1.00) | ALDH1A1CYP2C19LMNA | |
| Fluoride SCHEMBL1977851 | 0.75 | ALDH1A1 (0.91) | ALDH1A1CYP2C19LMNA | |
| SCHEMBL6129654 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP2C19LMNA | |
| SCHEMBL7108139 | 0.67 | ALDH1A1 (0.60) | ALDH1A1CYP2C19 | |
| SCHEMBL7675612 | 0.67 | ALDH1A1 (0.60) | ALDH1A1CYP2C19 | |
| SCHEMBL21448339 | 0.65 | ALDH1A1 (0.47) | ALDH1A1CYP2C19 | |
| SCHEMBL29388 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL490996 | 0.64 | ALDH1A1 (0.47) | ALDH1A1CYP2C19LMNA | |
| SCHEMBL11767025 | 0.61 | ALDH1A1 (0.53) | ALDH1A1CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6607677-B1 | Optically active butane-1,2,3,4-tetraol derivatives of formula (I). The compounds may be used as doping agents for liquid crystals for a wide range of applications, such as solid state cholesteric filters for projection displays, | ROLIC AG (CH) | 2003-08-19 | — | — | US | disclosed |