Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28877475 | 0.86 | POLB (0.38) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL28877427 | 0.85 | LCK (0.43) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL28877402 | 0.79 | ALOX15 (0.43) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL30032628 | 0.79 | ALOX15 (0.43) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL6905494 | 0.76 | KDM4E (0.43) | LCKMEN1KMT2ASMN1; SMN2RECQL | |
| SCHEMBL28877524 | 0.75 | KDM4E (0.40) | CA2MEN1KMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL23796649 | 0.70 | LCK (0.47) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL30032681 | 0.70 | LCK (0.47) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL686599 | 0.68 | CA12 (0.54) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL10594630 | 0.68 | AKR1B10 (0.47) | CA12CA7CA9CA14KMT2A |
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 |