Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | RARB | P10826 | 4/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | ACACB | O00763 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20005204 | 0.96 | ACACB (0.42) | CYP2D6CYP3A4RARBRARACYP19A1 | |
| SCHEMBL19999413 | 0.87 | RARB (0.39) | CYP2D6CYP3A4RARBRARAMCHR1 | |
| SCHEMBL20004894 | 0.83 | RARA (0.39) | CYP2D6CYP3A4RARBRARAMCHR1 | |
| SCHEMBL20005267 | 0.83 | RARA (0.39) | CYP2D6CYP3A4RARBRARAMCHR1 | |
| SCHEMBL19999450 | 0.82 | S1PR1 (0.40) | CYP2D6CYP3A4RARBRARAMCHR1 | |
| SCHEMBL19999369 | 0.82 | CNR2 (0.40) | CYP3A4ACACBALDH1A1 | |
| SCHEMBL20005277 | 0.81 | NPC1 (0.35) | CYP2D6RARBRARACYP19A1CYP2C9 | |
| SCHEMBL8775170 | 0.81 | CYP2D6 (0.46) | CYP2D6CYP3A4RARBRARAMCHR1 | |
| SCHEMBL19999499 | 0.80 | RARB (0.39) | CYP2D6CYP3A4RARBRARAMCHR1 | |
| SCHEMBL19999436 | 0.80 | RARB (0.39) | CYP2D6CYP3A4RARBRARAMCHR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3299439-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-03-28 | — | — | EP | disclosed |