Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | ATP4A | P20648 | 2/20 | 0.34 |
| ▸ | ATP4B | P51164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20004775 | 0.96 | ERN1 (0.40) | RARARARBERN1MCHR1CYP2D6 | |
| SCHEMBL20004687 | 0.94 | RARA (0.37) | RARARARBERN1MCHR1MAOB | |
| SCHEMBL20005217 | 0.93 | ERN1 (0.37) | RARARARBERN1MCHR1CYP2D6 | |
| SCHEMBL19999458 | 0.91 | RARA (0.42) | RARARARBERN1MCHR1CYP2D6 | |
| SCHEMBL19999493 | 0.89 | RARA (0.35) | RARARARBERN1MCHR1MAOB | |
| SCHEMBL20004831 | 0.87 | ERN1 (0.38) | RARARARBERN1MCHR1MAOB | |
| SCHEMBL20005283 | 0.87 | ERN1 (0.38) | RARARARBERN1MCHR1MAOB | |
| SCHEMBL19999407 | 0.87 | RARA (0.40) | RARARARBERN1MCHR1CYP2D6 | |
| SCHEMBL19999624 | 0.83 | RARB (0.38) | RARARARBERN1MCHR1CYP3A4 | |
| SCHEMBL20004573 | 0.82 | MCHR1 (0.39) | RARARARBERN1MCHR1CYP2D6 |
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 |