Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28876745 | 0.81 | GABRA1 (0.33) | ELANE | |
| SCHEMBL29054304 | 0.72 | ALDH1A1 (0.58) | NR1H2ELANECTSGCYP1A2CYP3A4 | |
| SCHEMBL30498849 | 0.72 | ALDH1A1 (0.58) | NR1H2ELANECTSGCYP1A2CYP3A4 | |
| SCHEMBL28298895 | 0.65 | NR1H2 (0.47) | NR1H2DAOELANECTSGFEN1 | |
| Ammonia Solution, Strong SCHEMBL27935051 | 0.64 | NR1H2 (0.46) | NR1H2DAOELANECTSGFEN1 | |
| SCHEMBL13935792 | 0.64 | ELANE (0.60) | NR1H2ELANECTSGCYP1A2CYP3A4 | |
| SCHEMBL7834245 | 0.63 | ALDH1A1 (0.55) | NR1H2CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL28412953 | 0.63 | ELANE (0.53) | NR1H2ELANECTSG | |
| SCHEMBL23145007 | 0.62 | CES1 (0.38) | ALDH1A1ALDH2CES1ALDH3A1CHRM1 | |
| SCHEMBL29811809 | 0.62 | CES1 (0.38) | ALDH1A1ALDH2CES1ALDH3A1CHRM1 |
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-110294702-A | A kind of fluorine-containing high allylamine derivatives of chiral alpha-and its preparation method and application | 武汉大学 | 2019-10-01 | — | — | CN | disclosed |