Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.31 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20004813 | 0.81 | CYP2D6 (0.43) | ACACBCYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL20005204 | 0.80 | ACACB (0.42) | ACACBCYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL19999413 | 0.72 | RARB (0.39) | ACACBCYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL19999369 | 0.70 | CNR2 (0.40) | ACACB | |
| SCHEMBL21321662 | 0.69 | S1PR3 (0.37) | NPC1CRBNCYP1A2CYP2D6CYP19A1 | |
| SCHEMBL19999450 | 0.68 | S1PR1 (0.40) | ACACBCYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL20005267 | 0.67 | RARA (0.39) | NPC1ACACBCYP1A2CYP2D6CYP19A1 | |
| SCHEMBL20004894 | 0.67 | RARA (0.39) | NPC1ACACBCYP1A2CYP2D6CYP19A1 | |
| SCHEMBL19999411 | 0.67 | ACACB (0.38) | ACACBRARARARB | |
| SCHEMBL19999436 | 0.67 | RARB (0.39) | ACACBCYP2D6RARARARB |
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 |