Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 3/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | USP5 | P45974 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12975802 | 0.86 | HCRTR2 (0.37) | HCRTR2DPP4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12975731 | 0.86 | HCRTR2 (0.37) | HCRTR2DPP4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10043343 | 0.84 | ESR2 (0.41) | HCRTR2USP5HDAC6HTR2AHTR2C | |
| SCHEMBL12975733 | 0.84 | ESR2 (0.41) | HCRTR2USP5HDAC6HTR2AHTR2C | |
| SCHEMBL10043342 | 0.82 | ABCB1 (0.38) | BACE1USP5HDAC6HTR2AHTR2C | |
| SCHEMBL10072014 | 0.81 | ESR2 (0.42) | HCRTR2USP5HDAC6HTR2AHTR2C | |
| SCHEMBL10043344 | 0.81 | USP5 (0.34) | HCRTR2USP5HDAC6SLC6A2SLC6A4 | |
| SCHEMBL17827776 | 0.80 | HTR2A (0.42) | HCRTR2USP5HDAC6SLC6A2SLC6A4 | |
| SCHEMBL12975873 | 0.78 | USP5 (0.32) | USP5HDAC6HTR2AHTR2CHTR2B | |
| SCHEMBL12975893 | 0.78 | USP5 (0.32) | USP5HDAC6HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010146992-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2010-12-23 | — | — | WO | disclosed |