Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22593830 | 0.92 | ESR2 (0.47) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL19665792 | 0.91 | ESR1 (0.48) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL29233076 | 0.91 | ESR1 (0.48) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL17602048 | 0.87 | KDM4C (0.41) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL10480072 | 0.87 | ESR2 (0.46) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL10479547 | 0.83 | ADRA1A (0.38) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL18177693 | 0.81 | ESR1 (0.50) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL10479880 | 0.80 | ESR2 (0.36) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL7531700 | 0.80 | GRM2 (0.39) | ESR1ESR2PDCD1CD274SLC6A2 | |
| SCHEMBL10479672 | 0.78 | MAPT (0.37) | ESR1ESR2PDCD1CD274SLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113801004-A | Phenyl bisphenol derivative, preparation method and medical application thereof | 四川海思科制药有限公司 | 2021-12-17 | — | — | CN | disclosed |
| CN-109415285-B | Phenyl bisphenol derivative, preparation method and medical application thereof | 四川海思科制药有限公司 | 2021-12-14 | — | — | CN | disclosed |
| CN-107074675-B | Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-107108416-B | Preparation method of 1, 2-dicyclopropylethylphenol and optical isomer thereof | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |