Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL8937105 | 0.96 | CNR2 (0.33) | GABRA1GABRB2ESR2PDE5AHDAC1 | |
| SCHEMBL8937110 | 0.95 | GABRA1 (0.33) | GABRA1GABRB2ESR2 | |
| SCHEMBL8937123 | 0.94 | GABRA1 (0.33) | GABRA1GABRB2 | |
| SCHEMBL8937119 | 0.94 | GABRA1 (0.33) | GABRA1GABRB2 | |
| SCHEMBL8937124 | 0.94 | GABRA1 (0.33) | GABRA1GABRB2 | |
| SCHEMBL8937115 | 0.94 | GABRA1 (0.33) | GABRA1GABRB2 | |
| SCHEMBL8938358 | 0.94 | GABRA1 (0.35) | GABRA1GABRB2FFAR4 | |
| SCHEMBL8937073 | 0.94 | ESR2 (0.33) | ESR2PDE5AHDAC1HDAC6CCNT1 | |
| SCHEMBL8939372 | 0.92 | GABRA1 (0.37) | GABRA1GABRB2ESR2 | |
| SCHEMBL8936113 | 0.91 | ESR2 (0.34) | GABRA1GABRB2FFAR4ESR2PDE5A |
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-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |