Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9346465 | 1.00 | RARB (0.46) | RARBCYP3A4CYP2D6TSHRNR5A1 | |
| SCHEMBL9349128 | 1.00 | RARB (0.46) | RARBCYP3A4CYP2D6TSHRNR5A1 | |
| SCHEMBL9589755 | 1.00 | RARB (0.46) | RARBCYP3A4CYP2D6TSHRNR5A1 | |
| SCHEMBL9589637 | 1.00 | RARB (0.46) | RARBCYP3A4CYP2D6TSHRNR5A1 | |
| SCHEMBL9591533 | 1.00 | RARB (0.46) | RARBCYP3A4CYP2D6TSHRNR5A1 | |
| SCHEMBL9349506 | 0.99 | CYP2D6 (0.46) | RARBCYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL9590636 | 0.99 | CYP2D6 (0.46) | RARBCYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL9346122 | 0.96 | TSHR (0.47) | CYP2D6TSHRNR5A1CYP1A2CYP2C19 | |
| SCHEMBL9589681 | 0.96 | TSHR (0.47) | CYP2D6TSHRNR5A1CYP1A2CYP2C19 | |
| SCHEMBL9344356 | 0.96 | TSHR (0.47) | CYP2D6TSHRNR5A1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0344557-B1 | Liquid crystal components with a trimethylenoxy group | HOFFMANN LA ROCHE (CH) | 1994-08-10 | — | — | EP | disclosed |
| US-5238600-A | IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1993-08-24 | — | — | US | disclosed |