Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.42 |
| ▸ | LTA4H | P09960 | 3/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
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 | 0.96 | CYP2D6 (0.43) | ACACBRARARARBCYP19A1CYP2C9 | |
| SCHEMBL19999369 | 0.85 | CNR2 (0.40) | ACACBLTA4HFFAR1NR5A1CYP3A4 | |
| SCHEMBL19999401 | 0.83 | THRA (0.39) | ACACBFFAR1NR5A1CYP3A4 | |
| SCHEMBL19999413 | 0.82 | RARB (0.39) | ACACBFFAR1RARARARBCYP19A1 | |
| SCHEMBL7851595 | 0.82 | NR5A1 (0.46) | ACACBLTA4HCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL19999427 | 0.82 | ACACB (0.36) | ACACBLTA4HFFAR1CHRNB2CHRNB4 | |
| SCHEMBL19999378 | 0.82 | APP (0.47) | ACACBFFAR1APP | |
| SCHEMBL19999450 | 0.81 | S1PR1 (0.40) | ACACBFFAR1RARARARBCYP19A1 | |
| SCHEMBL19999408 | 0.81 | ACACB (0.40) | ACACBFFAR1CYP3A4 | |
| SCHEMBL20005277 | 0.80 | NPC1 (0.35) | ACACBRARARARBCYP19A1CYP2C9 |
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 |