Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL24300944 | 0.95 | ESR1 (0.35) | ESR1ESR2PDE3BPDE3AKDM1A | |
| SCHEMBL24300963 | 0.95 | ESR1 (0.35) | ESR1ESR2PDE3BPDE3AKDM1A | |
| SCHEMBL24300953 | 0.89 | ESR1 (0.31) | ESR1ESR2PDE3BPDE3A | |
| SCHEMBL24300962 | 0.88 | ESR1 (0.35) | ESR1ESR2PDE3BPDE3AFFAR4 | |
| SCHEMBL24300959 | 0.88 | ESR1 (0.32) | ESR1ESR2PDE3BPDE3AFFAR4 | |
| SCHEMBL24300864 | 0.85 | RARB (0.34) | ESR1ESR2FFAR4 | |
| SCHEMBL24300726 | 0.84 | ALOX5AP (0.30) | — | |
| SCHEMBL24301028 | 0.84 | CYP3A4 (0.38) | FFAR4KDM1A | |
| SCHEMBL24300712 | 0.84 | CYP3A4 (0.36) | ESR1ESR2FFAR4KDM1A | |
| SCHEMBL27410395 | 0.83 | ESR1 (0.31) | ESR1ESR2 |
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-2022068499-A1 | THIOPHENE-CONTAINING LIQUID CRYSTAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 北京八亿时空液晶科技股份有限公司 | 2022-04-07 | — | — | WO | disclosed |