Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | ZDHHC7 | Q9NXF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11422036 | 0.80 | SMN1; SMN2 (0.60) | SMN1; SMN2ALDH1A1CYP3A4CYP2C19CA14 | |
| SCHEMBL2855909 | 0.78 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1CYP3A4CYP2C19CA14 | |
| SCHEMBL4057115 | 0.77 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1CYP3A4CYP2C19CA14 | |
| SCHEMBL28214866 | 0.75 | SMN1; SMN2 (0.40) | SMN1; SMN2CYP3A4CYP2C19CA14 | |
| SCHEMBL13220417 | 0.73 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1CYP3A4CYP2C19CA14 | |
| SCHEMBL856080 | 0.73 | SMN1; SMN2 (0.61) | SMN1; SMN2ALDH1A1CYP3A4CYP2C19CA14 | |
| SCHEMBL10454091 | 0.72 | — | — | |
| SCHEMBL14656273 | 0.71 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1CYP3A4CYP2C19CA14 | |
| SCHEMBL28214868 | 0.71 | SMN1; SMN2 (0.36) | SMN1; SMN2 | |
| SCHEMBL28214870 | 0.71 | MAPT (0.38) | SMN1; SMN2ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108047268-B | 1-aza-5-gera-5-alkyl bicyclo [3.3.3] undecane compound, synthesis method and application | 中国科学技术大学 | 2020-05-01 | — | — | CN | disclosed |