Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL7034832 | 0.74 | ALDH1A1 (0.52) | TSHR | |
| SCHEMBL4453780 | 0.74 | ESR1 (0.43) | CYP3A4TSHR | |
| Benzene SCHEMBL28136546 | 0.73 | TSHR (0.50) | CYP3A4TSHR | |
| SCHEMBL109223 | 0.73 | TSHR (0.50) | CYP3A4TSHR | |
| SCHEMBL4001233 | 0.72 | TSHR (0.48) | CHRNA7NR1H2CYP3A4TSHRMAPK1 | |
| Ammonia Solution, Strong SCHEMBL9691228 | 0.71 | TSHR (0.48) | CYP3A4TSHR | |
| SCHEMBL30724553 | 0.71 | TSHR (0.48) | CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL11666238 | 0.71 | TSHR (0.48) | CYP3A4TSHR | |
| Ethylene SCHEMBL27607233 | 0.71 | TSHR (0.48) | CYP3A4TSHR | |
| SCHEMBL3601476 | 0.71 | CYP3A4 (0.46) | CYP3A4TSHRMAPK1 |
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-110240554-B | Alpha-thioether aryl acetonitrile compound and synthetic method thereof | 上海大学 | 2021-02-23 | — | — | CN | disclosed |