Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.34 |
| ▸ | MPL | P40238 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28877408 | 0.90 | ALDH1A1 (0.37) | HSD17B10ALDH1A1CASP1CASP7TDP1 | |
| SCHEMBL28877461 | 0.88 | HSD17B10 (0.36) | HSD17B10ALDH1A1CASP1CASP7TDP1 | |
| SCHEMBL28877386 | 0.87 | HSD17B10 (0.40) | HSD17B10ALDH1A1CASP1CASP7TDP1 | |
| SCHEMBL28877429 | 0.87 | HSD17B10 (0.40) | HSD17B10ALDH1A1CASP1CASP7TDP1 | |
| SCHEMBL28877455 | 0.82 | HSD17B10 (0.46) | HSD17B10ALDH1A1CASP1CASP7TDP1 | |
| SCHEMBL28877375 | 0.82 | ALDH1A1 (0.46) | HSD17B10ALDH1A1CASP1CASP7TDP1 | |
| SCHEMBL28957909 | 0.70 | GRM1 (0.39) | HSD17B10ALDH1A1CASP1CASP7TDP1 | |
| SCHEMBL40170 | 0.70 | ALDH1A1 (0.48) | ALDH1A1MCL1HPGDKDM4ECA12 | |
| SCHEMBL29356006 | 0.69 | CA12 (0.43) | HSD17B10ALDH1A1TDP1CYP2C9HPGD | |
| SCHEMBL23796737 | 0.69 | HSD17B10 (0.49) | HSD17B10ALDH1A1CASP1CASP7TDP1 |
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 |