Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9326347 | 0.78 | SIGMAR1 (0.40) | SIGMAR1TMEM97HTR1A | |
| Acetic Acid SCHEMBL15956069 | 0.78 | SIGMAR1 (0.44) | SIGMAR1TMEM97HSD11B1CYP3A4HTR1A | |
| Propionic Acid SCHEMBL15955794 | 0.75 | TMEM97 (0.41) | SIGMAR1TMEM97HSD11B1CYP3A4HTR1A | |
| SCHEMBL15955853 | 0.74 | TMEM97 (0.41) | SIGMAR1TMEM97CYP3A4 | |
| SCHEMBL10487154 | 0.74 | MAOA (0.39) | HSD11B1CYP3A4 | |
| SCHEMBL5665989 | 0.74 | MAOA (0.39) | HSD11B1CYP3A4 | |
| Butyric Acid SCHEMBL15955929 | 0.72 | MEN1 (0.40) | SIGMAR1TMEM97HSD11B1CYP3A4 | |
| 3-Methylbutanoic Acid SCHEMBL15956110 | 0.71 | TMEM97 (0.39) | SIGMAR1TMEM97HSD11B1CYP3A4 | |
| Valeric Acid SCHEMBL15956332 | 0.71 | TMEM97 (0.38) | SIGMAR1TMEM97CYP3A4 | |
| Benzyl Alcohol SCHEMBL16651422 | 0.70 | SIGMAR1 (0.52) | SIGMAR1TMEM97CYP3A4HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0046488-A2 | Substituted 2,5,7-trioxa-bicyclo(2.2.2)octan-6-ones, 3,6,8-trioxa-bicyclo(3.2.1)octan-4-ones and 1,3-dioxane-carboxylic acid and 1,3-dioxolane-2-carboxylic acid compounds, and their preparation | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1982-03-03 | — | — | EP | disclosed |