Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | PGD | P52209 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL234927 | 0.80 | TSHR (0.39) | TSHRPGDCYP2C9PDE4A | |
| SCHEMBL28101475 | 0.80 | TSHR (0.39) | TSHRPGDCYP2C9PDE4AALDH1A1 | |
| SCHEMBL9558576 | 0.80 | TSHR (0.39) | TSHRPGDCYP2C9PDE4A | |
| SCHEMBL3463165 | 0.77 | TSHR (0.36) | TSHRPGDCYP2C9PDE4A | |
| SCHEMBL2979038 | 0.75 | ATM (0.41) | TSHRPGDALDH1A1 | |
| Ethylene Glycol SCHEMBL3741933 | 0.74 | PGD (0.35) | TSHRPGDCYP2C9PDE4A | |
| SCHEMBL27720867 | 0.74 | ATM (0.39) | TSHRPGDALDH1A1 | |
| SCHEMBL4258142 | 0.74 | CHRM1 (0.41) | TSHRPGD | |
| SCHEMBL514701 | 0.73 | TSHR (0.41) | TSHRPGDCYP2C9PDE4A | |
| SCHEMBL2963336 | 0.73 | TSHR (0.41) | TSHRPGDCYP2C9PDE4A |
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-106946972-B | A kind of ursolic acid derivative with anti-tumor activity and preparation method thereof | 烟台大学 | 2019-04-19 | — | — | CN | disclosed |
| CN-106946972-A | A kind of ursolic acid derivative with antitumor activity and preparation method thereof | 烟台大学 | 2017-07-14 | — | — | CN | disclosed |