Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 4/20 | 0.35 |
| ▸ | RARA | P10276 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19829202 | 0.89 | S1PR1 (0.36) | S1PR1S1PR3RARBRARAGRM2 | |
| SCHEMBL18310404 | 0.89 | RARB (0.42) | S1PR1S1PR3RARBRARAFFAR1 | |
| SCHEMBL18310476 | 0.87 | RARB (0.41) | S1PR1S1PR3RARBRARAFFAR1 | |
| SCHEMBL12623121 | 0.87 | RARB (0.47) | S1PR1S1PR3RARBRARAPPARD | |
| SCHEMBL15783711 | 0.87 | GRM2 (0.39) | S1PR1S1PR3RARBRARAGRM2 | |
| SCHEMBL13198653 | 0.85 | RARB (0.37) | S1PR1S1PR3RARBRARAGRM2 | |
| SCHEMBL12623124 | 0.85 | RARB (0.46) | S1PR1S1PR3RARBRARAPPARD | |
| SCHEMBL19829156 | 0.85 | S1PR1 (0.36) | S1PR1S1PR3RARBGRM2PSMB5 | |
| SCHEMBL19829204 | 0.84 | S1PR1 (0.35) | S1PR1S1PR3RARBGRM2FFAR4 | |
| SCHEMBL12623114 | 0.84 | RARB (0.41) | S1PR1S1PR3RARBRARAPPARD |
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 |