Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 9/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28543000 | 0.86 | PTGS2 (0.40) | PTGS2PTGS1DRD1 | |
| SCHEMBL28549292 | 0.82 | BRD4 (0.38) | PTGS2PTGS1GPR119 | |
| SCHEMBL28539868 | 0.77 | SCN9A (0.37) | PTGS2PTGS1GPR119 | |
| SCHEMBL315425 | 0.75 | CA12 (0.41) | PTGS2ENPP2DRD1 | |
| SCHEMBL19639038 | 0.71 | BRD4 (0.35) | ENPP2DRD1 | |
| SCHEMBL28911180 | 0.70 | PTGDR2 (0.38) | NUDT1PTGS2PTGS1GPR119PTGDR2 | |
| SCHEMBL28544660 | 0.70 | LMNA (0.46) | PTGDR2 | |
| SCHEMBL5616669 | 0.70 | PTGS2 (0.44) | PTGS2PTGS1PTGDR2DRD1 | |
| SCHEMBL1097336 | 0.69 | SMN1; SMN2 (0.43) | PTGS2PTGS1ENPP2 | |
| SCHEMBL6962247 | 0.67 | PTGS2 (0.67) | PTGS2PTGS1 |
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-105712952-B | 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-03-26 | — | — | CN | disclosed |