Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.59 |
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CA7 | P43166 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 4/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.59 |
| ▸ | XDH | P47989 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL23535845 | 1.00 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5917866 | 0.87 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5917868 | 0.87 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29826125 | 0.83 | CA1 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL670644 | 0.83 | CA1 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL403210 | 0.83 | CA12 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2407573 | 0.82 | KDM4E (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2407570 | 0.82 | KDM4E (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28713777 | 0.81 | ESR1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23535712 | 0.81 | ESR1 (0.53) | 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-109111437-A | A kind of benzo [d] isoxazole class compound and its preparation method and application | 中国科学院广州生物医药与健康研究院 | 2019-01-01 | — | — | CN | disclosed |