Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2471225 | 0.97 | — | — | |
| SCHEMBL5430296 | 0.93 | CA1 (0.37) | CA1CA2CA7CA13 | |
| SCHEMBL29058334 | 0.93 | CA1 (0.37) | CA1CA2CA7CA13 | |
| SCHEMBL6011944 | 0.78 | CA1 (0.35) | CA1CA2CA7CA13 | |
| SCHEMBL8726642 | 0.75 | CA1 (0.33) | CA1CA2CA7CA13 | |
| SCHEMBL758883 | 0.72 | CA2 (0.41) | CA1CA2CA7CA13 | |
| SCHEMBL2085247 | 0.72 | CA2 (0.41) | CA1CA2CA7CA13 | |
| SCHEMBL758884 | 0.72 | CA2 (0.41) | CA1CA2CA7CA13 | |
| SCHEMBL160 | 0.72 | CA2 (0.41) | CA1CA2CA7CA13 | |
| SCHEMBL9133666 | 0.71 | ALDH1A1 (0.52) | — |
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-106831387-A | A kind of saturation C-H bond direct oxidation method of visible light catalytic | 上海科技大学 | 2017-06-13 | — | — | CN | disclosed |