Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 4/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 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 | |
|---|---|---|---|---|
| SCHEMBL28877375 | 0.87 | ALDH1A1 (0.46) | AKR1C2AKR1C1CA12CA1CA2 | |
| SCHEMBL28957895 | 0.83 | ALDH1A1 (0.39) | AKR1C2AKR1C1PTGS2APPHSD17B10 | |
| SCHEMBL40170 | 0.79 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29356006 | 0.79 | CA12 (0.43) | AKR1C2AKR1C1CA12CA1CA2 | |
| SCHEMBL23796632 | 0.75 | CA12 (0.37) | AKR1C2AKR1C1CA12CA1CA2 | |
| SCHEMBL28877391 | 0.74 | ALDH1A1 (0.39) | PTGS2HSD17B10MAPTTDP1KDM4E | |
| SCHEMBL28877408 | 0.74 | ALDH1A1 (0.37) | AKR1C2AKR1C1CA12CA1CA2 | |
| SCHEMBL39468 | 0.74 | TSHR (0.39) | AKR1C2AKR1C1CA12CA1CA2 | |
| SCHEMBL686599 | 0.73 | CA12 (0.54) | AKR1C2AKR1C1CA12CA1CA2 | |
| SCHEMBL28877381 | 0.73 | GRM1 (0.47) | CA12CA1CA2CA7CA9 |
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 |