Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7026699 | 0.78 | CA1 (0.45) | KCNA3CA1CA2ALDH1A1RECQL | |
| Ethylene Glycol SCHEMBL8768999 | 0.73 | CA1 (0.41) | KCNA3CA1CA2MEN1KMT2A | |
| SCHEMBL894227 | 0.72 | GAA (0.39) | CA1CA2MEN1KMT2AALOX15 | |
| SCHEMBL2807977 | 0.71 | LTA4H (0.39) | KCNA3CA1CA2PCSK9ALDH1A1 | |
| SCHEMBL28682860 | 0.68 | CA1 (0.36) | KCNA3CA1CA2PCSK9ALDH1A1 | |
| SCHEMBL28337059 | 0.67 | CA1 (0.46) | KCNA3CA1CA2PCSK9ALDH1A1 | |
| SCHEMBL28102434 | 0.67 | CA1 (0.46) | KCNA3CA1CA2PCSK9ALDH1A1 | |
| SCHEMBL78440 | 0.67 | CA1 (0.46) | KCNA3CA1CA2PCSK9ALDH1A1 | |
| Benzene SCHEMBL28134938 | 0.67 | CA1 (0.46) | KCNA3CA1CA2PCSK9ALDH1A1 | |
| SCHEMBL1878004 | 0.67 | CA1 (0.46) | KCNA3CA1CA2PCSK9ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107656077-A | It is a kind of while detect 3 chloropropanol esters and the method for ethylene oxidic ester in edible oil | 山东龙大粮油有限公司 | 2018-02-02 | — | — | CN | claimed |
| CN-107656077-A | It is a kind of while detect 3 chloropropanol esters and the method for ethylene oxidic ester in edible oil | 山东龙大粮油有限公司 | 2018-02-02 | — | — | CN | disclosed |