Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL24300709 | 1.00 | CYP3A4 (0.42) | CYP3A4CYP2C9APPFFAR4HSP90AA1 | |
| SCHEMBL24301025 | 0.99 | CYP3A4 (0.43) | CYP3A4CYP2C9APPFFAR4HSP90AA1 | |
| SCHEMBL24300716 | 0.99 | CYP3A4 (0.40) | CYP3A4CYP2C9APPFFAR4HSP90AA1 | |
| SCHEMBL24300694 | 0.97 | CYP3A4 (0.39) | CYP3A4CYP2C9APPFFAR4HSP90AA1 | |
| SCHEMBL24301013 | 0.97 | CYP3A4 (0.42) | CYP3A4CYP2C9APPFFAR4HSP90AA1 | |
| SCHEMBL24300942 | 0.86 | ESR1 (0.38) | CYP3A4CYP2C9APPFFAR4MAPT | |
| SCHEMBL24300957 | 0.86 | ESR1 (0.38) | CYP3A4CYP2C9APPFFAR4MAPT | |
| SCHEMBL27027383 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2C9APPHSP90AA1GAA | |
| SCHEMBL24300890 | 0.83 | ALOX5AP (0.39) | CYP3A4CYP2C9APPFFAR4HSP90AA1 | |
| SCHEMBL24300676 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2C9APPHSP90AA1GAA |
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 |