Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL27410168 | 0.83 | MCHR1 (0.35) | ALDH1A1 | |
| SCHEMBL24301046 | 0.81 | NPC1 (0.33) | KMT2AALDH1A1MEN1 | |
| SCHEMBL24300886 | 0.81 | NPC1 (0.33) | KMT2AALDH1A1MEN1 | |
| SCHEMBL24300885 | 0.81 | FFAR4 (0.35) | KMT2ANPSR1ALDH1A1MEN1 | |
| SCHEMBL24300678 | 0.81 | FFAR4 (0.35) | KMT2ANPSR1ALDH1A1MEN1 | |
| SCHEMBL27410167 | 0.81 | MCHR1 (0.35) | — | |
| SCHEMBL24300676 | 0.80 | CYP3A4 (0.36) | KMT2AAPP | |
| SCHEMBL26566718 | 0.79 | CYP17A1 (0.33) | ALDH1A1CYP17A1 | |
| SCHEMBL24301044 | 0.79 | S1PR1 (0.31) | ALDH1A1 | |
| SCHEMBL24300675 | 0.79 | FFAR4 (0.37) | KMT2ANPSR1ALDH1A1MEN1 |
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 |