Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 5/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | KLK7 | P49862 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29711746 | 1.00 | PPARA (0.37) | PPARAGSTP1GSTM2PPARGCTSS | |
| SCHEMBL29711764 | 1.00 | PPARA (0.37) | PPARAGSTP1GSTM2PPARGCTSS | |
| SCHEMBL22425825 | 0.84 | PPARA (0.40) | PPARAPPARGCTSSAAK1KLK7 | |
| SCHEMBL28951011 | 0.82 | ALDH1A1 (0.48) | PPARAPPARGSMN1; SMN2ALDH1A1 | |
| SCHEMBL24500703 | 0.82 | PPARA (0.39) | PPARAPPARGCTSSAAK1KLK7 | |
| SCHEMBL24496957 | 0.82 | ALDH1A1 (0.48) | PPARAPPARGSMN1; SMN2ALDH1A1 | |
| SCHEMBL28951034 | 0.82 | ALDH1A1 (0.48) | PPARAPPARGSMN1; SMN2ALDH1A1 | |
| SCHEMBL22411915 | 0.80 | PPARA (0.37) | PPARAGSTP1GSTM2PPARGCTSS | |
| SCHEMBL22411916 | 0.80 | PPARA (0.37) | PPARAGSTP1GSTM2PPARGCTSS | |
| SCHEMBL28599748 | 0.78 | TRPA1 (0.43) | GSTP1GSTM2AAK1BCL2MCL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591351-B | Polycyclic compound and preparation method and application thereof | 成都科岭源医药技术有限公司 | 2023-12-05 | — | — | CN | disclosed |
| WO-2022117090-A1 | POLYCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 成都科岭源医药技术有限公司 | 2022-06-09 | — | — | WO | disclosed |
| CN-114591351-A | Polycyclic compound and preparation method and application thereof | 成都科岭源医药技术有限公司 | 2022-06-07 | — | — | CN | disclosed |