Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9330732 | 1.00 | RARB (0.45) | RARBSLC2A1CYP3A4CYP2D6NR5A1 | |
| SCHEMBL9330676 | 0.97 | RARB (0.48) | RARBSLC2A1CYP3A4CYP2D6NR5A1 | |
| SCHEMBL9330971 | 0.97 | RARB (0.48) | RARBSLC2A1CYP3A4CYP2D6NR5A1 | |
| SCHEMBL9333696 | 0.97 | RARB (0.48) | RARBSLC2A1CYP3A4CYP2D6NR5A1 | |
| SCHEMBL9330957 | 0.97 | RARB (0.48) | RARBSLC2A1CYP3A4CYP2D6NR5A1 | |
| SCHEMBL9330690 | 0.97 | RARB (0.48) | RARBSLC2A1CYP3A4CYP2D6NR5A1 | |
| SCHEMBL9333683 | 0.97 | RARB (0.48) | RARBSLC2A1CYP3A4CYP2D6NR5A1 | |
| SCHEMBL9752262 | 0.89 | RARB (0.55) | RARBSLC2A1CYP3A4CYP2D6NR5A1 | |
| SCHEMBL9474150 | 0.88 | LMNA (0.51) | RARBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9474161 | 0.88 | LMNA (0.51) | RARBCYP3A4CYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0304738-B1 | Optically active liquid-crystal components | HOFFMANN LA ROCHE (CH) | 1994-03-30 | — | — | EP | disclosed |
| US-5250222-A | Optically active compounds used for liquid crystalline mixtures | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0304738-A2 | Optically active liquid-crystal components | F. HOFFMANN-LA ROCHE AG (CH) | 1989-03-01 | — | — | EP | disclosed |