Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ADH1B | P00325 | 3/20 | 0.37 |
| ▸ | ADH1A | P07327 | 3/20 | 0.37 |
| ▸ | ADH7 | P40394 | 3/20 | 0.37 |
| ▸ | ADH1C | P00326 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ADH4 | P08319 | 1/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7677802 | 0.90 | TSHR (0.62) | ALDH1A1TSHRFAAHTRPV1CA12 | |
| SCHEMBL7628246 | 0.90 | TSHR (0.55) | ALDH1A1TSHRFAAHTRPV1CA12 | |
| SCHEMBL7674518 | 0.88 | TSHR (0.61) | ALDH1A1TSHRFAAHTRPV1CA12 | |
| SCHEMBL9431925 | 0.83 | TSHR (0.61) | ALDH1A1TSHRFAAHTRPV1ADH1B | |
| SCHEMBL29950905 | 0.81 | TSHR (0.50) | ALDH1A1TSHRFAAHTRPV1CA12 | |
| SCHEMBL30481037 | 0.81 | TSHR (0.73) | ALDH1A1TSHRFAAHTRPV1ADH1B | |
| Hexane SCHEMBL6930185 | 0.81 | ALDH1A1 (0.80) | ALDH1A1TSHRFAAHTRPV1ADH1B | |
| SCHEMBL29957351 | 0.81 | TSHR (0.44) | ALDH1A1TSHRFAAHTRPV1CA12 | |
| SCHEMBL1638658 | 0.80 | TSHR (0.55) | ALDH1A1TSHRFAAHTRPV1CA12 | |
| Formic Acid SCHEMBL2368233 | 0.79 | CA12 (0.46) | ALDH1A1TSHRCA12CA1CA9 |
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-105503525-A | Method for improving selectivity of alcohol liquid phase hydrogenation to produce alcohol | CHINA PETROLEUM & CHEM CORP | 2016-04-20 | — | — | CN | disclosed |