Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.52 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.49 |
| ▸ | CTSV | O60911 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | HTR1D | P28221 | 2/20 | 0.44 |
| ▸ | HTR1B | P28222 | 2/20 | 0.44 |
| ▸ | UNG | P13051 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2920907 | 0.88 | RARB (0.52) | RARBNR5A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL30620170 | 0.83 | GPR17 (0.44) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2204178 | 0.82 | RARB (0.71) | RARBNR5A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL9150185 | 0.82 | RARB (0.71) | RARBNR5A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL14267492 | 0.82 | RARB (0.71) | RARBNR5A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL9150611 | 0.82 | RARB (0.71) | RARBNR5A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL9153965 | 0.82 | RARB (0.71) | RARBNR5A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL9155028 | 0.82 | RARB (0.71) | RARBNR5A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL7775244 | 0.82 | RARB (0.71) | RARBNR5A1CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL9154372 | 0.82 | RARB (0.71) | RARBNR5A1CYP2D6CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117165305-B | Negative liquid crystal compound and preparation method and application thereof | 陕西师范大学 | 2025-05-16 | — | — | CN | disclosed |
| CN-117165305-A | Negative liquid crystal compound and preparation method and application thereof | 陕西师范大学 | 2023-12-05 | — | — | CN | disclosed |