Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | BAX | Q07812 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL51246 | 0.97 | LTA4H (0.50) | LTA4HTSHRCA4KCNA3CA5A | |
| SCHEMBL16534280 | 0.94 | LTA4H (0.47) | LTA4HTSHRCA4KCNA3CA5A | |
| SCHEMBL4398278 | 0.94 | LTA4H (0.47) | LTA4HTSHRCA4KCNA3CA5A | |
| SCHEMBL10777066 | 0.94 | LTA4H (0.47) | LTA4HTSHRCA4KCNA3CA5A | |
| Hydrogen Sulfide SCHEMBL16338972 | 0.94 | LTA4H (0.47) | LTA4HTSHRCA4KCNA3CA5A | |
| Methane SCHEMBL29002032 | 0.94 | LTA4H (0.47) | LTA4HTSHRCA4KCNA3CA5A | |
| Ethylene SCHEMBL15348371 | 0.88 | LTA4H (0.43) | LTA4HTSHRCA4KCNA3CA5A | |
| Trimethylammonium SCHEMBL6447863 | 0.86 | CA4 (0.43) | LTA4HTSHRCA4KCNA3CA5A | |
| SCHEMBL28520885 | 0.86 | LTA4H (0.41) | LTA4HTSHRCA4KCNA3CA5A | |
| SCHEMBL7533210 | 0.85 | LTA4H (0.45) | LTA4HTSHRCA4KCNA3CA5A |
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-114824467-A | Application of methyl (2,2, 2-trifluoroethyl) carbonate in high-temperature high-voltage battery electrolyte | 石家庄圣泰化工有限公司 | 2022-07-29 | — | — | CN | disclosed |