Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24301027 | 0.92 | CYP3A4 (0.35) | CYP3A4CYP2C9APPALDH1A1LMNA | |
| SCHEMBL24300699 | 0.90 | CYP2C9 (0.33) | CYP3A4CYP2C9APPALDH1A1LMNA | |
| SCHEMBL24301028 | 0.89 | CYP3A4 (0.38) | CYP3A4CYP2C9APPMAPTKMT2A | |
| SCHEMBL24300897 | 0.88 | CYP2C9 (0.33) | CYP3A4CYP2C9APPALDH1A1LMNA | |
| SCHEMBL24300953 | 0.88 | ESR1 (0.31) | — | |
| SCHEMBL24300968 | 0.87 | — | — | |
| SCHEMBL24300712 | 0.86 | CYP3A4 (0.36) | CYP3A4CYP2C9APP | |
| SCHEMBL24301017 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2C9APPMAPTKMT2A | |
| SCHEMBL24300881 | 0.86 | RARB (0.31) | — | |
| SCHEMBL24300687 | 0.85 | CYP3A4 (0.40) | CYP3A4CYP2C9APPMAPTKMT2A |
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 |