Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 9/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14086502 | 0.89 | PDE10A (0.50) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL6798820 | 0.83 | CYSLTR2 (0.53) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL2334595 | 0.81 | CYSLTR2 (0.52) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL538491 | 0.80 | GPBAR1 (0.54) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL2913941 | 0.79 | PDE10A (0.61) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL860157 | 0.79 | KCNH2 (0.58) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL23844622 | 0.78 | CYP1A2 (0.52) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL5367040 | 0.77 | KCNH2 (0.61) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL6115276 | 0.77 | KCNH2 (0.61) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 | |
| SCHEMBL797638 | 0.77 | KCNH2 (0.61) | PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4 |
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-20180154332-A1 | HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY | WATERS TECHNOLOGIES CORPORATION | 2018-06-07 | — | — | US | disclosed |