Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL10014998 | 0.89 | ESR2 (0.34) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL16545403 | 0.85 | — | — | |
| SCHEMBL15891499 | 0.85 | — | — | |
| SCHEMBL19829178 | 0.84 | ESR2 (0.37) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL19829219 | 0.84 | NPC1 (0.31) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL18310376 | 0.83 | ESR2 (0.34) | NPC1CASP3RAB9ASENP8NLRP3 | |
| SCHEMBL10015008 | 0.82 | FLT3 (0.33) | — | |
| SCHEMBL19829226 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL17365828 | 0.82 | ESR2 (0.31) | ESR2 | |
| SCHEMBL19829099 | 0.81 | ALDH1A1 (0.40) | ESR2 |
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 |