Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL19500156 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CA2CA1CA9 | |
| SCHEMBL23345653 | 0.80 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL4120153 | 0.77 | ALDH1A1 (0.36) | ALDH1A1CA2CA1CA9 | |
| SCHEMBL28925226 | 0.77 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL20348748 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9 | |
| SCHEMBL14779076 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9 | |
| SCHEMBL27890521 | 0.75 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL4128094 | 0.73 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL778698 | 0.72 | CA2 (0.39) | ALDH1A1CA2CA1CA9 | |
| SCHEMBL14836688 | 0.72 | ALDH1A1 (0.36) | ALDH1A1 |
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-111101145-B | Method for preparing aromatic halide and aldehyde substance simultaneously by paired electrodes | 万华化学集团股份有限公司 | 2021-05-14 | — | — | CN | claimed |