Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA7 | P43166 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | XDH | P47989 | 1/20 | 0.49 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30035251 | 1.00 | HDAC6 (0.59) | HDAC6CA12CA1CA2CA7 | |
| SCHEMBL28113734 | 0.87 | HDAC6 (0.82) | HDAC6ESR1KDM4EGAAPKM | |
| SCHEMBL109442 | 0.86 | ALDH1A1 (0.57) | HDAC6ESR1GAAPKM | |
| SCHEMBL30060305 | 0.86 | ALDH1A1 (0.57) | HDAC6ESR1GAAPKM | |
| SCHEMBL111402 | 0.86 | ALDH1A1 (0.57) | HDAC6ESR1GAAPKM | |
| SCHEMBL111533 | 0.86 | ALDH1A1 (0.57) | HDAC6ESR1GAAPKM | |
| SCHEMBL16274557 | 0.86 | ALDH1A1 (0.57) | HDAC6ESR1GAAPKM | |
| SCHEMBL109117 | 0.86 | ALDH1A1 (0.57) | HDAC6ESR1GAAPKM | |
| SCHEMBL108369 | 0.86 | ALDH1A1 (0.57) | HDAC6ESR1GAAPKM | |
| SCHEMBL9615305 | 0.86 | ALDH1A1 (0.57) | HDAC6ESR1GAAPKM |
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-115246797-A | Aza-crown ether compound and preparation method and application thereof | 中国科学院上海高等研究院 | 2022-10-28 | — | — | CN | disclosed |