Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20152917 | 0.93 | ESR2 (0.46) | ESR2ALOX5BACE1CYP26A1ESR1 | |
| SCHEMBL20152909 | 0.86 | CYP3A4 (0.36) | ESR1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL20153024 | 0.86 | ESR2 (0.40) | ESR2ALOX5BACE1ESR1KDM4E | |
| SCHEMBL20152939 | 0.84 | ESR2 (0.37) | ESR2BACE1ESR1MEN1KMT2A | |
| SCHEMBL20152903 | 0.81 | BACE1 (0.42) | ESR2ALOX5BACE1PDE4APDE4B | |
| SCHEMBL20152998 | 0.79 | SLC13A5 (0.40) | BACE1KDM4EMEN1ALDH1A1GAA | |
| SCHEMBL20153023 | 0.79 | HSD17B10 (0.34) | ESR2ESR1ALDH1A1LMNAMAPT | |
| SCHEMBL20152897 | 0.79 | ESR1 (0.33) | ESR2BACE1ESR1ALDH1A1 | |
| SCHEMBL20152945 | 0.77 | ESR2 (0.51) | ESR2ALOX5BACE1CYP26A1HCAR2 | |
| SCHEMBL20152935 | 0.75 | TYR (0.48) | ESR2ALOX5ESR1MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |