Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 2/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 4/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28285216 | 0.85 | XDH (0.50) | CA1CA2XDHCDK4CCND1 | |
| SCHEMBL7939012 | 0.84 | CA1 (0.59) | CA1CA2ERN1TRIM24TRIM33 | |
| SCHEMBL5028869 | 0.83 | CA1 (0.46) | CA1CA2ERN1TRIM24TRIM33 | |
| SCHEMBL7190769 | 0.82 | XDH (0.47) | CA1CA2XDHCDK4CCND1 | |
| SCHEMBL8735765 | 0.79 | CA1 (0.55) | CA1CA2ERN1TRIM24TRIM33 | |
| Cassiferaldehyde SCHEMBL28269438 | 0.77 | CA1 (0.69) | CA1CA2XDHCDK4CCND1 | |
| SCHEMBL28691241 | 0.76 | MAPT (0.45) | CA1CA2XDHCDK4CCND1 | |
| SCHEMBL28180514 | 0.75 | CA1 (0.56) | CA1CA2ERN1TRIM24TRIM33 | |
| SCHEMBL27993388 | 0.74 | CA1 (0.50) | CA1CA2ERN1TRIM24TRIM33 | |
| SCHEMBL3936411 | 0.74 | ERN1 (0.51) | CA1CA2XDHERN1TRIM24 |
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-112898373-A | Pentacyclic triterpenoid compound and preparation method and application thereof | 沈阳药科大学 | 2021-06-04 | — | — | CN | disclosed |