Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL443709 | 0.79 | THRB (0.44) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2511404 | 0.78 | THRB (0.43) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL3957478 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL30451 | 0.75 | THRB (0.44) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL2764467 | 0.75 | THRB (0.44) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL1974751 | 0.75 | THRB (0.41) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL28340737 | 0.75 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL1395771 | 0.74 | ALDH1A1 (0.35) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL1618581 | 0.74 | THRB (0.33) | THRB | |
| SCHEMBL6420687 | 0.74 | THRB (0.40) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 |
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-111393832-A | Macromolecular network topological heterogeneous system based on dynamic covalent bonds and application method thereof | 浙江大学 | 2020-07-10 | — | — | CN | disclosed |