Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL24301016 | 0.99 | CYP3A4 (0.40) | CYP3A4CYP2C9APPS1PR4S1PR1 | |
| SCHEMBL24300687 | 0.99 | CYP3A4 (0.40) | CYP3A4CYP2C9APPS1PR4S1PR1 | |
| SCHEMBL24301028 | 0.98 | CYP3A4 (0.38) | CYP3A4CYP2C9APPS1PR4S1PR1 | |
| SCHEMBL24300686 | 0.98 | CYP3A4 (0.38) | CYP3A4CYP2C9APPS1PR4S1PR1 | |
| SCHEMBL24300712 | 0.95 | CYP3A4 (0.36) | CYP3A4CYP2C9APPS1PR4S1PR1 | |
| SCHEMBL24301022 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C9APPS1PR4S1PR1 | |
| SCHEMBL24301023 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP2C9APPS1PR4S1PR1 | |
| SCHEMBL24300710 | 0.87 | CYP3A4 (0.39) | CYP3A4CYP2C9APPS1PR4S1PR1 | |
| SCHEMBL24300963 | 0.87 | ESR1 (0.35) | AAK1KDM1A | |
| SCHEMBL27027384 | 0.87 | CYP3A4 (0.41) | CYP3A4CYP2C9APPS1PR4S1PR1 |
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 |