Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 14/20 | 0.72 |
| ▸ | HSP90AB1 | P08238 | 14/20 | 0.72 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.49 |
| ▸ | PTPRC | P08575 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29204877 | 1.00 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1HSD17B1HSD17B2HKDC1 | |
| SCHEMBL29204875 | 0.86 | HSP90AA1 (0.82) | HSP90AA1HSP90AB1HSD17B1HSD17B2HKDC1 | |
| SCHEMBL30883288 | 0.86 | HSP90AA1 (0.82) | HSP90AA1HSP90AB1HSD17B1HSD17B2HKDC1 | |
| SCHEMBL29204881 | 0.85 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1HSD17B1HSD17B2HKDC1 | |
| SCHEMBL30883289 | 0.79 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1HSD17B1HSD17B2 | |
| SCHEMBL29204878 | 0.79 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1HSD17B1HSD17B2 | |
| SCHEMBL30883292 | 0.78 | ALDH1A1 (0.49) | HSP90AA1HSP90AB1HSD17B1HSD17B2HKDC1 | |
| SCHEMBL18870851 | 0.78 | ALDH1A1 (0.49) | HSP90AA1HSP90AB1HSD17B1HSD17B2HKDC1 | |
| SCHEMBL30883290 | 0.78 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1HSD17B1HSD17B2HKDC1 | |
| SCHEMBL29204886 | 0.78 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1HSD17B1HSD17B2HKDC1 |
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-117966179-A | N- (3- (2-hydroxynaphthalene-1-yl) -4-hydroxyphenyl) -4-toluenesulfonamide compound and preparation method and application thereof | 安徽理工大学 | 2024-05-03 | — | — | CN | disclosed |