Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18512509 | 0.96 | PDE10A (0.46) | PDE10ACCR1CCR5CCR8HDAC6 | |
| SCHEMBL23641150 | 0.93 | DHFR (0.41) | PDE10AHRH3GRM2CYP1A2CYP2D6 | |
| SCHEMBL22460731 | 0.89 | DHFR (0.43) | PDE10ACCR1CCR5CCR8HDAC6 | |
| SCHEMBL23543252 | 0.88 | PDE10A (0.40) | PDE10ACCR1CCR5CCR8HDAC6 | |
| SCHEMBL18648928 | 0.86 | TSHR (0.43) | PDE10ACCR1CCR5CCR8HDAC6 | |
| SCHEMBL8269251 | 0.85 | DHFR (0.45) | PDE10ACCR1CCR5CCR8HDAC6 | |
| SCHEMBL18682734 | 0.82 | CCR1 (0.52) | PDE10ACCR1CCR5CCR8HDAC6 | |
| SCHEMBL24853562 | 0.81 | PDE10A (0.38) | PDE10ACCR1CCR5CCR8HDAC6 | |
| SCHEMBL24231875 | 0.81 | PDE10A (0.39) | PDE10AGRM2HTR2AHTR2CKCNH2 | |
| SCHEMBL20261121 | 0.81 | CYP1A2 (0.48) | HRH3GRM2CYP1A2KCNH2DHFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10253258-B2 | Nematic liquid crystal composition | DIC CORPORATION (JP) | 2019-04-09 | — | — | US | disclosed |
| US-20170218269-A1 | NEMATIC LIQUID CRYSTAL COMPOSITION | DIC CORPORATION (JP) | 2017-08-03 | — | — | US | disclosed |