Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28504192 | 0.83 | HTT (0.34) | HTTCYP3A4BAZ2BALDH1A1 | |
| SCHEMBL25507680 | 0.82 | — | — | |
| SCHEMBL26238 | 0.82 | — | — | |
| SCHEMBL28509375 | 0.80 | — | — | |
| Tetranitromethane SCHEMBL4783630 | 0.75 | ALDH1A1 (0.34) | HTTCYP3A4BAZ2BALDH1A1 | |
| SCHEMBL28429143 | 0.74 | CYP3A4 (0.37) | HTTCYP3A4BAZ2BALDH1A1 | |
| SCHEMBL411293 | 0.69 | — | — | |
| Anthracene SCHEMBL7109280 | 0.68 | CYP19A1 (0.44) | CYP3A4BAZ2BALDH1A1 | |
| SCHEMBL10405960 | 0.66 | CYP3A4 (0.39) | CYP3A4BAZ2BTBXAS1ALDH1A1 | |
| SCHEMBL25507691 | 0.66 | CYP3A4 (0.39) | CYP3A4BAZ2BTBXAS1ALDH1A1 |
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-108383861-B | Zinc-containing complex, preparation method thereof and plastic auxiliary agent containing zinc-containing complex | 浙江工业大学 | 2021-01-01 | — | — | CN | disclosed |