Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | RARB | P10826 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9349519 | 0.97 | CYP2D6 (0.50) | CYP2D6CYP3A4RARBCYP2C19CYP19A1 | |
| SCHEMBL9348919 | 0.95 | RARB (0.49) | CYP2D6CYP3A4RARBCYP2C19CYP19A1 | |
| SCHEMBL9345999 | 0.95 | RARB (0.49) | CYP2D6CYP3A4RARBCYP2C19CYP19A1 | |
| SCHEMBL9346565 | 0.95 | RARB (0.49) | CYP2D6CYP3A4RARBCYP2C19CYP19A1 | |
| SCHEMBL9349037 | 0.95 | RARB (0.49) | CYP2D6CYP3A4RARBCYP2C19CYP19A1 | |
| SCHEMBL9349038 | 0.95 | RARB (0.49) | CYP2D6CYP3A4RARBCYP2C19CYP19A1 | |
| SCHEMBL9344380 | 0.95 | CYP2D6 (0.47) | CYP2D6CYP3A4RARBCYP2C19CYP19A1 | |
| SCHEMBL9346336 | 0.95 | LTA4H (0.45) | CYP2D6CYP2C19CYP1A2LTA4HNR5A1 | |
| SCHEMBL9346147 | 0.92 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBCYP2C19CYP19A1 | |
| SCHEMBL9349393 | 0.92 | LTA4H (0.49) | CYP2D6CYP2C19CYP1A2LTA4HNR5A1 |
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 |