Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL29111379 | 0.87 | TSHR (0.37) | ALDH1A1TSHR | |
| Propanol SCHEMBL1866158 | 0.82 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| Alcohol SCHEMBL829261 | 0.81 | — | — | |
| Isobutanol SCHEMBL23795334 | 0.81 | TSHR (0.53) | ALDH1A1TSHR | |
| SCHEMBL1330501 | 0.81 | — | — | |
| SCHEMBL2499215 | 0.81 | ADH1B (0.38) | ALDH1A1TSHR | |
| SCHEMBL16240 | 0.81 | — | — | |
| 3-Methylbutanol SCHEMBL10353880 | 0.79 | — | — | |
| SCHEMBL405948 | 0.78 | — | — | |
| Ethane SCHEMBL3680391 | 0.78 | — | — |
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-116440905-A | Aldehyde hydrogenation Cu-based catalyst and preparation method and application thereof | 中海油天津化工研究设计院有限公司 | 2023-07-18 | — | — | CN | disclosed |