Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 5/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | RORA | P35398 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL19829202 | 0.95 | S1PR1 (0.36) | S1PR1S1PR3GRM2RARBRORC | |
| SCHEMBL19829155 | 0.91 | MAOB (0.35) | S1PR1S1PR3RARBFFAR4NPC1 | |
| SCHEMBL19829205 | 0.89 | KIF11 (0.37) | S1PR1S1PR3GRM2RARBFFAR4 | |
| SCHEMBL19829156 | 0.88 | S1PR1 (0.36) | S1PR1S1PR3GRM2RARBAKR1C3 | |
| SCHEMBL12625678 | 0.87 | RARB (0.43) | S1PR1S1PR3GRM2RARBRORC | |
| SCHEMBL13198631 | 0.87 | GRM2 (0.37) | S1PR1S1PR3GRM2RARBRORC | |
| SCHEMBL19829208 | 0.86 | ALOX5AP (0.33) | S1PR1S1PR3GRM2RARBFFAR4 | |
| SCHEMBL19829098 | 0.86 | S1PR1 (0.32) | S1PR1S1PR3GRM2FFAR4PDK2 | |
| SCHEMBL18310569 | 0.86 | S1PR1 (0.33) | S1PR1S1PR3GRM2FFAR4 | |
| SCHEMBL13198649 | 0.84 | GRM2 (0.36) | S1PR1S1PR3GRM2RARBRORC |
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 |