Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 3/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL24300865 | 0.96 | MAOA (0.33) | MAOAMAOBRARBRARARARG | |
| SCHEMBL24300943 | 0.92 | ESR1 (0.31) | RARBRARARARGESR1ESR2 | |
| SCHEMBL24300864 | 0.90 | RARB (0.34) | RARBRARARARGMCL1CYP1A2 | |
| SCHEMBL1533774 | 0.88 | RARB (0.39) | MAOBRARBRARARARGMCL1 | |
| SCHEMBL24300966 | 0.88 | AAK1 (0.31) | — | |
| SCHEMBL24300962 | 0.87 | ESR1 (0.35) | ESR1ESR2FFAR4 | |
| SCHEMBL24300881 | 0.86 | RARB (0.31) | RARBRARARARG | |
| SCHEMBL24300666 | 0.86 | MAOA (0.36) | MAOAMAOBCYP1A2CYP2E1CYP3A4 | |
| SCHEMBL24300866 | 0.85 | RARB (0.33) | RARBRARARARGMCL1CYP1A2 | |
| SCHEMBL1533776 | 0.84 | RARB (0.42) | RARBRARARARGMCL1CYP1A2 |
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 |