Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.71 |
| ▸ | XDH | P47989 | 1/20 | 0.56 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | PRKCA | P17252 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29546041 | 0.92 | HSP90AA1 (0.76) | HSP90AA1XDHPRKCACA2CA9 | |
| SCHEMBL423457 | 0.90 | HSP90AA1 (0.74) | HSP90AA1XDHSNCAPRKCACYP3A4 | |
| SCHEMBL422039 | 0.89 | HSP90AA1 (0.71) | HSP90AA1XDHSNCAPRKCACYP3A4 | |
| SCHEMBL29642990 | 0.89 | HSP90AA1 (0.85) | HSP90AA1XDHSNCAPRKCACYP3A4 | |
| Minecoside SCHEMBL29426074 | 0.89 | HSP90AA1 (0.85) | HSP90AA1XDHSNCAPRKCACYP3A4 | |
| SCHEMBL29425876 | 0.87 | HSP90AA1 (0.84) | HSP90AA1XDHPRKCACYP3A4ALDH1A1 | |
| SCHEMBL29426068 | 0.86 | HSP90AA1 (0.70) | HSP90AA1XDHPRKCACA2CA9 | |
| SCHEMBL29426089 | 0.85 | HSP90AA1 (0.73) | HSP90AA1XDHPRKCACYP3A4ALDH1A1 | |
| SCHEMBL419313 | 0.84 | HSP90AA1 (0.71) | HSP90AA1XDHPRKCACYP3A4ALDH1A1 | |
| SCHEMBL421930 | 0.84 | HSP90AA1 (0.61) | HSP90AA1XDHSNCAPRKCACYP3A4 |
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-109734759-B | Catalpol derivative and application thereof | 上海中医药大学 | 2022-05-10 | — | — | CN | disclosed |