Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL28322041 | 0.81 | ESR1 (0.38) | — | |
| SCHEMBL28321971 | 0.74 | TRPA1 (0.42) | HTT | |
| SCHEMBL28321925 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL954426 | 0.70 | HTT (0.39) | HTTIDO1TDO2 | |
| SCHEMBL28518519 | 0.69 | PTGS2 (0.37) | — | |
| SCHEMBL10637927 | 0.67 | IDO1 (0.38) | HTTIDO1TDO2 | |
| SCHEMBL7865917 | 0.66 | IDO1 (0.40) | HTTIDO1TDO2 | |
| SCHEMBL6687100 | 0.66 | TSHR (0.50) | HTTIDO1TDO2 | |
| SCHEMBL3497477 | 0.66 | TSHR (0.50) | HTTIDO1TDO2 | |
| SCHEMBL28647725 | 0.66 | IDO1 (0.36) | HTTIDO1TDO2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110240554-B | Alpha-thioether aryl acetonitrile compound and synthetic method thereof | 上海大学 | 2021-02-23 | — | — | CN | disclosed |
| CN-110240554-A | α-thioether aryl acetonitrile compound and its synthetic method | 上海大学 | 2019-09-17 | — | — | CN | disclosed |