Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | BRD4 | O60885 | 1/20 | 0.53 |
| ▸ | PDK1 | Q15118 | 14/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 14/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 14/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 14/20 | 0.51 |
| ▸ | MPO | P05164 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3653863 | 1.00 | ESR2 (0.55) | ESR2KDM4EBRD4PDK1PDK2 | |
| SCHEMBL3899182 | 0.92 | ESR2 (0.61) | ESR2KDM4EBRD4PDK1PDK2 | |
| SCHEMBL1734404 | 0.89 | ESR2 (0.55) | ESR2KDM4EBRD4PDK1PDK2 | |
| SCHEMBL4948953 | 0.88 | NOTUM (0.55) | KDM4EBRD4MPOHSD17B10 | |
| SCHEMBL21428260 | 0.86 | KDM4E (0.73) | KDM4EBRD4PDK1PDK2PDK3 | |
| SCHEMBL5781463 | 0.85 | KDM4E (0.53) | ESR2KDM4EBRD4PDK1PDK2 | |
| SCHEMBL18216843 | 0.85 | KDM4E (0.53) | KDM4EBRD4MPOHSD17B10 | |
| SCHEMBL380901 | 0.85 | KDM4E (0.53) | KDM4EBRD4PDK1PDK2PDK3 | |
| SCHEMBL31552767 | 0.85 | NOTUM (0.55) | KDM4EBRD4PDK1PDK2PDK3 | |
| SCHEMBL6846584 | 0.85 | NR1H2 (0.56) | KDM4EBRD4PDK1PDK2PDK3 |
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-117177969-A | Compound with benzyloxy aryl ether structure, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-12-05 | — | — | CN | disclosed |