Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 11/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28721123 | 1.00 | PTGS2 (0.51) | PTGS2EPAS1BRD4HTR1ASLC6A2 | |
| SCHEMBL29548605 | 0.89 | BRD4 (0.46) | PTGS2EPAS1BRD4MAPK14 | |
| SCHEMBL20443102 | 0.89 | BRD4 (0.46) | PTGS2EPAS1BRD4MAPK14 | |
| SCHEMBL16045757 | 0.85 | PTGS2 (0.55) | PTGS2EPAS1BRD4MAPK8EP300 | |
| SCHEMBL16045908 | 0.85 | PTGS2 (0.61) | PTGS2EPAS1BRD4MAPK8EP300 | |
| SCHEMBL16047515 | 0.81 | PTGS2 (0.62) | PTGS2EPAS1BRD4MAPK8EP300 | |
| SCHEMBL28721218 | 0.81 | PTGS2 (0.48) | PTGS2BRD4HTR1ASLC6A2SLC6A4 | |
| SCHEMBL29549380 | 0.81 | PTGS2 (0.48) | PTGS2BRD4HTR1ASLC6A2SLC6A4 | |
| SCHEMBL20443103 | 0.79 | HTR1A (0.38) | PTGS2EPAS1BRD4HTR1ASLC6A2 | |
| SCHEMBL29549365 | 0.79 | PTGS2 (0.46) | PTGS2BRD4EP300 |
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-110041253-B | Pyridine N-oxide derivative and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-03-29 | — | — | CN | disclosed |