Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | RARA | P10276 | 5/20 | 0.33 |
| ▸ | RARB | P10826 | 5/20 | 0.33 |
| ▸ | RARG | P13631 | 5/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL21287826 | 0.93 | FASN (0.39) | CYP3A4APPCYP2C9RARARARB | |
| SCHEMBL21287834 | 0.92 | CYP3A4 (0.39) | CYP3A4APPCYP2C9RARARARB | |
| SCHEMBL21287646 | 0.89 | CYP2C9 (0.33) | CYP3A4APPCYP2C9RARARARB | |
| SCHEMBL21287796 | 0.88 | CYP3A4 (0.39) | CYP3A4APPCYP2C9PPARGPPARA | |
| SCHEMBL21287382 | 0.86 | CYP3A4 (0.41) | CYP3A4APPCYP2C9FFAR4PDE4A | |
| SCHEMBL21287823 | 0.86 | FASN (0.39) | CYP3A4APPCYP2C9FASNCYP2D6 | |
| SCHEMBL21287831 | 0.83 | RARB (0.33) | RARARARBRARGFASNAURKA | |
| SCHEMBL21287645 | 0.82 | MMP2 (0.35) | RARARARBRARGAURKAKDR | |
| SCHEMBL19804551 | 0.81 | CYP3A4 (0.46) | CYP3A4APPCYP2C9FFAR4PPARG | |
| SCHEMBL21287651 | 0.81 | CYP2C9 (0.32) | CYP3A4APPCYP2C9RARARARB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11130911-B2 | Liquid crystal compound and liquid crystal composition | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) | 2021-09-28 | — | — | US | disclosed |
| US-20190256772-A1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) | 2019-08-22 | — | — | US | disclosed |