Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL159732 | 0.87 | CA1 (0.38) | CA12CA1CA2CA4CA7 | |
| SCHEMBL30159634 | 0.87 | CA1 (0.38) | CA12CA1CA2CA4CA7 | |
| Ethylene SCHEMBL27752633 | 0.82 | CA12 (0.35) | CA12CA1CA2CA4CA7 | |
| SCHEMBL1324603 | 0.80 | AR (0.38) | CA12CA1CA2CA4CA7 | |
| SCHEMBL1465660 | 0.79 | CA1 (0.44) | CA12CA1CA2CA4CA7 | |
| SCHEMBL2405150 | 0.76 | CA1 (0.62) | CA12CA1CA2CA4CA7 | |
| SCHEMBL1305477 | 0.75 | PIM1 (0.34) | CA12CA1CA2CA4CA7 | |
| SCHEMBL22522695 | 0.74 | MAP4K4 (0.35) | — | |
| SCHEMBL3994528 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL1324477 | 0.74 | — | — |
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-114835752-A | Phosphoryloxybenzonitrile compound and preparation method and application thereof | 广东工业大学 | 2022-08-02 | — | — | CN | disclosed |