Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 3/20 | 0.33 |
| ▸ | MMP12 | P39900 | 3/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | F12 | P00748 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28594343 | 0.85 | CA12 (0.43) | CA12CA9BCHECCR1KCNH2 | |
| SCHEMBL29445560 | 0.80 | CA12 (0.43) | CA12CA9BCHEMMP1MMP12 | |
| SCHEMBL28686883 | 0.80 | CA12 (0.43) | CA12CA9BCHEMMP1MMP12 | |
| SCHEMBL98175 | 0.78 | CA12 (0.49) | CA12CA9BCHEMMP1MMP12 | |
| SCHEMBL1978356 | 0.78 | CA12 (0.49) | CA12CA9BCHEMMP1MMP12 | |
| SCHEMBL30468849 | 0.77 | EPHX2 (0.37) | CA12CA9BCHEF12EPHX2 | |
| SCHEMBL29025099 | 0.77 | EPHX2 (0.37) | CA12CA9BCHEF12EPHX2 | |
| SCHEMBL30468848 | 0.77 | EPHX2 (0.37) | CA12CA9BCHEF12EPHX2 | |
| SCHEMBL30471974 | 0.71 | LMNA (0.56) | KDM4EALDH1A1HPGDNPSR1HSD17B10 | |
| SCHEMBL1114643 | 0.71 | CA12 (0.55) | CA12CA9KDM4EALDH1A1HPGD |
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-113121430-A | Preparation method of 5- (alpha-halogenated butyryl) -8-hydroxyquinoline-2-ketone | 岳阳新华达制药有限公司 | 2021-07-16 | — | — | CN | disclosed |