Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Asperuloside. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.38 |
| ▸ | STAT3 | P40763 | 6/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 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 | |
|---|---|---|---|---|
| Asperuloside SCHEMBL308266 | 0.90 | STAT3 (0.42) | PTPN1STAT3ELANEL3MBTL1MAPT | |
| Asperuloside SCHEMBL31666329 | 0.90 | STAT3 (0.42) | PTPN1STAT3ELANEL3MBTL1MAPT | |
| Asperuloside SCHEMBL308265 | 0.90 | STAT3 (0.42) | PTPN1STAT3ELANEL3MBTL1MAPT | |
| Paederoside SCHEMBL422181 | 0.81 | STAT3 (0.41) | PTPN1STAT3ELANEL3MBTL1MAPT | |
| Deacetylasperuloside SCHEMBL29367563 | 0.78 | L3MBTL1 (0.53) | PTPN1STAT3ELANEL3MBTL1MAPT | |
| SCHEMBL29426081 | 0.78 | L3MBTL1 (0.41) | PTPN1STAT3ELANEL3MBTL1MAPT | |
| SCHEMBL29425770 | 0.77 | STAT3 (0.41) | STAT3ELANEL3MBTL1MAPTMEN1 | |
| Asperuloside SCHEMBL7637719 | 0.77 | PTPN1 (0.38) | PTPN1STAT3ELANE | |
| SCHEMBL422234 | 0.74 | ELANE (0.41) | PTPN1STAT3ELANEL3MBTL1MAPT | |
| SCHEMBL419331 | 0.74 | ELANE (0.41) | PTPN1STAT3ELANEL3MBTL1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20210177879-A1 | VITAMIN D RECEPTOR AGONIST | GUANGZHOU UNIVERSITY OF CHINESE MEDICINE (CN) | 2021-06-17 | — | — | US | disclosed |