Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | UGCG | Q16739 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28911175 | 0.79 | SCN9A (0.42) | PTGS2PTGDR2EPAS1SMN1; SMN2PTGS1 | |
| SCHEMBL28615535 | 0.77 | ALDH1A1 (0.48) | PTGDR2SMN1; SMN2ALDH1A1MEN1HPGD | |
| SCHEMBL9825441 | 0.77 | SMN1; SMN2 (0.40) | PTGDR2SMN1; SMN2ERN1ALDH1A1MEN1 | |
| SCHEMBL28064698 | 0.77 | SLC6A9 (0.52) | PTGS2SLC6A9KCNH2PTGDR2SMN1; SMN2 | |
| SCHEMBL7092074 | 0.77 | SMN1; SMN2 (0.61) | PTGS2SMN1; SMN2ERN1ALDH1A1HPGD | |
| SCHEMBL23144386 | 0.77 | ALDH1A1 (0.53) | PTGS2SLC6A9KCNH2PTGDR2SMN1; SMN2 | |
| SCHEMBL15036874 | 0.77 | PTGS2 (0.46) | PTGS2SLC6A9KCNH2PTGDR2EPAS1 | |
| SCHEMBL29811827 | 0.76 | PTGS2 (0.43) | PTGS2SLC6A9KCNH2PTGDR2SMN1; SMN2 | |
| SCHEMBL29986886 | 0.76 | SLC6A9 (0.51) | SLC6A9KCNH2 | |
| SCHEMBL23144752 | 0.76 | PTGS2 (0.43) | PTGS2SLC6A9KCNH2PTGDR2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105712945-B | 2-substituted oxy-5-methylsulfonyl aryl piperazine amide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-12-01 | — | — | CN | disclosed |
| CN-105712945-A | 2-Substituted-oxy-5-methylsulfonyl aryl piperazine acidamide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2016-06-29 | — | — | CN | disclosed |