Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30031661 | 0.83 | MYC (0.39) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| SCHEMBL28877424 | 0.83 | MYC (0.39) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| SCHEMBL28877373 | 0.82 | POLB (0.41) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| SCHEMBL28877456 | 0.80 | ALOX15 (0.49) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| SCHEMBL30031224 | 0.80 | ALOX15 (0.49) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| Methyl Alcohol SCHEMBL29088014 | 0.72 | CSNK2A1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL163610 | 0.72 | CA1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL3427286 | 0.70 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL5872953 | 0.70 | CA1 (0.56) | CA1CA2CA12CA7CA9 | |
| SCHEMBL22206251 | 0.70 | CA1 (0.56) | CA1CA2CA12CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115279730-B | 2, 5-Or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group, useful as medicaments | OM药物公司 | 2025-02-14 | — | — | CN | claimed |
| CN-115279730-A | 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments | OM药物公司 | 2022-11-01 | — | — | CN | claimed |