Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.41 |
| ▸ | RARB | P10826 | 4/20 | 0.37 |
| ▸ | RARA | P10276 | 2/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12623919 | 0.92 | RARB (0.40) | S1PR1RARBRARARARGS1PR3 | |
| SCHEMBL12624919 | 0.89 | RARB (0.39) | S1PR1RARBRARARARGS1PR3 | |
| SCHEMBL19829126 | 0.87 | RARB (0.38) | S1PR1RARBRARARARGS1PR3 | |
| SCHEMBL19829200 | 0.87 | S1PR1 (0.37) | S1PR1RARBRARARARGS1PR3 | |
| SCHEMBL16258077 | 0.87 | RARB (0.41) | S1PR1RARBRARARARGS1PR3 | |
| SCHEMBL18310563 | 0.86 | S1PR1 (0.37) | S1PR1RARBRARARARGFFAR1 | |
| SCHEMBL12623766 | 0.85 | ALOX5AP (0.39) | S1PR1RARBRARARARGS1PR3 | |
| SCHEMBL19829128 | 0.84 | RARB (0.42) | RARBRARARARGFAAHSMN1; SMN2 | |
| SCHEMBL19829225 | 0.84 | S1PR1 (0.39) | S1PR1RARBRARARARGS1PR3 | |
| SCHEMBL15460653 | 0.84 | S1PR1 (0.37) | S1PR1RARBRARARARGS1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180030351-A1 | LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |