Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.35 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.35 |
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 | 1.00 | MYC (0.39) | MYCPTPN1HSP90AA1PDK2PDK1 | |
| SCHEMBL28877402 | 0.83 | ALOX15 (0.43) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| SCHEMBL30032628 | 0.83 | ALOX15 (0.43) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| SCHEMBL28877441 | 0.83 | HSP90AA1 (0.44) | MYCPTPN1HSP90AA1PDK2PDK1 | |
| SCHEMBL30031472 | 0.80 | POLB (0.42) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| SCHEMBL28877442 | 0.80 | POLB (0.42) | HSP90AA1PDK2PDK1PDK3PDK4 | |
| SCHEMBL686599 | 0.77 | CA12 (0.54) | PTPN1CA12CA1CA2CA7 | |
| SCHEMBL15874167 | 0.69 | CA5A (0.46) | PDK2POLBCA12CA1CA2 | |
| SCHEMBL38891 | 0.67 | HMGB1 (0.62) | MYCPTPN1HSP90AA1CA12CA1 | |
| SCHEMBL15524186 | 0.67 | AKR1C2 (0.58) | PTPN1CA12CA1CA2CA7 |
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-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 |