Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.34 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.32 |
| ▸ | CKS1B | P61024 | 1/20 | 0.31 |
| ▸ | SKP1 | P63208 | 1/20 | 0.31 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.31 |
| ▸ | KRAS | P01116 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | ESRRB | O95718 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESRRA | P11474 | 1/20 | 0.31 |
| ▸ | ESRRG | P62508 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.31 |
| ▸ | CSNK1E | P49674 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL22435393 | 0.81 | NR1H2 (0.39) | NR1H2SUV39H2ESRRBESR1ESRRA | |
| SCHEMBL22716585 | 0.77 | NR1H2 (0.39) | NR1H2CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL31492977 | 0.72 | MAPK1 (0.39) | NR1H2ADORA1ESR2KCNH2ALDH1A1 | |
| SCHEMBL31616837 | 0.72 | NR1H2 (0.41) | NR1H2ADORA1ESR2KCNH2ALDH1A1 | |
| SCHEMBL26645063 | 0.72 | NR1H2 (0.38) | NR1H2ADORA1ESR2KCNH2ALDH1A1 | |
| SCHEMBL30793319 | 0.70 | MEN1 (0.37) | NR1H2ESR2MAPTMAPK1TRPV3 | |
| SCHEMBL26890664 | 0.70 | MEN1 (0.42) | NR1H2SUV39H2ESR2ALDH1A1LMNA | |
| SCHEMBL26645301 | 0.70 | CSNK1D (0.44) | NR1H2CKS1BSKP1SKP2ESR2 | |
| SCHEMBL25434412 | 0.69 | POLB (0.40) | SUV39H2ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL31616823 | 0.69 | KCNH2 (0.46) | NR1H2ESR2KCNH2ALDH1A1LMNA |
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-118434744-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-08-02 | — | — | CN | disclosed |