Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.50 |
| ▸ | ESR1 | P03372 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17361047 | 0.84 | ESR2 (0.48) | ESR2ESR1ALDH1A1CYP3A4KIF11 | |
| SCHEMBL27965739 | 0.76 | ESR1 (0.52) | ESR2ESR1ALDH1A1CYP3A4KIF11 | |
| SCHEMBL11688012 | 0.75 | KIF11 (0.46) | ESR2ESR1ALDH1A1CYP3A4KIF11 | |
| SCHEMBL6384616 | 0.74 | CYP1A2 (0.48) | ALDH1A1OPRM1DRD3DRD4DRD2 | |
| SCHEMBL2014300 | 0.73 | ESR2 (0.63) | ESR2ESR1ALDH1A1CYP3A4KIF11 | |
| SCHEMBL28305537 | 0.73 | CYP2C19 (0.48) | ESR2ESR1ALDH1A1CYP3A4KIF11 | |
| SCHEMBL14531850 | 0.72 | ESR1 (0.56) | ESR2ESR1ALDH1A1CYP3A4KIF11 | |
| SCHEMBL8413148 | 0.72 | ESR1 (0.56) | ESR2ESR1ALDH1A1CYP3A4KIF11 | |
| SCHEMBL24683697 | 0.72 | OPRM1 (0.54) | CYP3A4OPRM1DRD3DRD4DRD2 | |
| Bicarbonate SCHEMBL19723102 | 0.71 | ESR1 (0.87) | ESR2ESR1ALDH1A1CYP3A4KIF11 |
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-107011173-A | Polymerizable compound and its purposes in a liquid crystal display | 默克专利股份有限公司 | 2017-08-04 | — | — | CN | disclosed |