Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | ATP4A | P20648 | 2/20 | 0.34 |
| ▸ | ATP4B | P51164 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20004894 | 1.00 | RARA (0.39) | RARARARBMCL1CYP2D6CYP3A4 | |
| SCHEMBL19999499 | 0.91 | RARB (0.39) | RARARARBMCL1CYP2D6CYP3A4 | |
| SCHEMBL19999637 | 0.90 | RARB (0.39) | RARARARBMCL1CYP3A4ACACB | |
| SCHEMBL20005210 | 0.88 | ACACB (0.42) | MCHR1ACACBFFAR4FFAR1MAPT | |
| SCHEMBL19999411 | 0.87 | ACACB (0.38) | RARARARBMCL1CYP3A4ACACB | |
| SCHEMBL20004878 | 0.85 | HRH3 (0.38) | RARARARBFFAR1HRH3 | |
| SCHEMBL20005285 | 0.84 | FFAR1 (0.40) | RARARARBFFAR1NPC1RAB9A | |
| SCHEMBL20004879 | 0.84 | FFAR1 (0.34) | FFAR1CYP2C19CYP1A2MAPT | |
| SCHEMBL20005287 | 0.83 | ESR1 (0.38) | FFAR1 | |
| SCHEMBL20004874 | 0.83 | RARB (0.36) | RARARARBCYP2D6CYP3A4MCHR1 |
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 |