Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | STS | P08842 | 6/20 | 0.49 |
| ▸ | ALPL | P05186 | 3/20 | 0.43 |
| ▸ | ALPI | P09923 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28770063 | 0.98 | CA1 (0.51) | CA1CA2CA9STSALPL | |
| Iodide SCHEMBL1516235 | 0.97 | STS (0.50) | CA1CA2CA9STSALPL | |
| Hydrogen Sulfide SCHEMBL15618955 | 0.97 | STS (0.50) | CA1CA2CA9STSALPL | |
| Diphenylsulfane SCHEMBL2897538 | 0.87 | STS (0.43) | CA1CA2CA9STSALPL | |
| SCHEMBL2984771 | 0.83 | CA2 (0.63) | CA1CA2CA9STSLMNA | |
| SCHEMBL27599573 | 0.80 | ALPL (0.51) | CA1CA2CA9STSALPL | |
| SCHEMBL2374919 | 0.80 | ALPL (0.51) | CA1CA2CA9STSALPL | |
| SCHEMBL27636959 | 0.80 | LTA4H (0.53) | STSALPLALPILMNAALDH1A1 | |
| SCHEMBL9462619 | 0.80 | ALPL (0.51) | CA1CA2CA9STSALPL | |
| SCHEMBL1502053 | 0.80 | KMT2A (0.52) | CA1CA2CA9ALPLALPI |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101646648-B | Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using same, and lithium secondary battery using same | UBE IND JP | 2014-07-16 | — | — | CN | disclosed |
| CN-101646648-A | Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using same, and lithium secondary battery using same | UBE IND JP | 2010-02-10 | — | — | CN | disclosed |
| WO-2008123014-A1 | tert-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME | UBE INDUSTRIES, LTD. (JP) | 2008-10-16 | — | — | WO | disclosed |