Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8688775 | 0.85 | SIGMAR1 (0.46) | CYP3A4CYP2D6 | |
| SCHEMBL11194759 | 0.83 | TRPA1 (0.38) | TLR8CYP2D6PPARA | |
| SCHEMBL12668160 | 0.80 | LIPG (0.42) | NR1H2NR1H3LIPGTLR8CYP3A4 | |
| SCHEMBL11351465 | 0.77 | ALDH1A1 (0.33) | IDO1IDO2 | |
| SCHEMBL2701240 | 0.75 | LIPG (0.50) | NR1H2NR1H3LIPGTLR8CYP3A4 | |
| SCHEMBL3630210 | 0.75 | TLR8 (0.42) | NR1H2NR1H3LIPGTLR8CYP3A4 | |
| SCHEMBL13505989 | 0.75 | LIPG (0.41) | NR1H2NR1H3LIPGTLR8CYP3A4 | |
| SCHEMBL27894738 | 0.75 | TLR8 (0.39) | TLR8CYP3A4CYP2D6IDO1PTGS2 | |
| SCHEMBL8221193 | 0.75 | ALOX5 (0.37) | NR1H2NR1H3LIPGCYP3A4IDO1 | |
| SCHEMBL8217749 | 0.75 | ALOX5 (0.37) | NR1H2NR1H3LIPGCYP3A4IDO1 |
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-104010525-B | Cyclohexanol derivative as antibacterial anti-microbial active matter purposes | 默克专利股份有限公司 | 2017-08-25 | — | — | CN | disclosed |