Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.82 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.82 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.82 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.53 |
| ▸ | PTPRC | P08575 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4350314 | 0.93 | CYP2A6 (0.68) | CYP2A6CYP2B6CYP2E1PRMT6PTPRC | |
| SCHEMBL149952 | 0.91 | CYP2A6 (1.00) | CYP2A6CYP2B6CYP2E1PRMT6PTPRC | |
| SCHEMBL24106775 | 0.88 | CYP2A6 (0.95) | CYP2A6CYP2B6CYP2E1PRMT6PTPRC | |
| SCHEMBL3997707 | 0.88 | — | — | |
| SCHEMBL5713686 | 0.81 | CYP2A6 (0.54) | CYP2A6CYP2B6CYP2E1PRMT6PTPRC | |
| SCHEMBL5477270 | 0.79 | CYP2A6 (0.69) | CYP2A6CYP2B6CYP2E1PRMT6PTPRC | |
| SCHEMBL18002045 | 0.79 | CYP2A6 (0.62) | CYP2A6CYP2B6CYP2E1PTPRCGLO1 | |
| SCHEMBL17004981 | 0.79 | CYP2A6 (0.70) | CYP2A6CYP2B6CYP2E1PRMT6PTPRC | |
| SCHEMBL27811941 | 0.78 | CYP2A6 (0.75) | CYP2A6CYP2B6CYP2E1PRMT6PTPRC | |
| Hydrogen Sulfide SCHEMBL28154356 | 0.78 | CYP2A6 (0.75) | CYP2A6CYP2B6CYP2E1PRMT6PTPRC |
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 |
|---|---|---|---|---|---|---|---|
| CN-106946808-A | The synthetic method of benzo [1,3,5] triazole octanone derivative | 苏州大学 | 2017-07-14 | — | — | CN | disclosed |