Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.36 |
| ▸ | SDHB | P21912 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL27876773 | 0.98 | ACHE (0.46) | ACHETSHRHSD11B1TRPA1ATM | |
| Orthocresol SCHEMBL28383837 | 0.89 | TRPA1 (0.46) | ACHETSHRHSD11B1TRPA1ATM | |
| O-Tolylamine SCHEMBL5161740 | 0.86 | CYP3A4 (0.56) | TSHRHSD11B1TRPA1ATMPTPN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL30038181 | 0.86 | MAPT (0.40) | ACHETSHRHSD11B1TRPA1ATM | |
| Trifluoromethanesulfonic Acid SCHEMBL28564485 | 0.85 | TRPA1 (0.52) | TSHRHSD11B1TRPA1ATMPTPN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL28746827 | 0.84 | HSD11B1 (0.36) | ACHETSHRHSD11B1TRPA1ATM | |
| Trifluoromethanesulfonic Acid SCHEMBL180454 | 0.84 | TSHR (0.50) | ACHETSHRHSD11B1PTPN1SMN1; SMN2 | |
| Trifluoromethanesulfonic Acid SCHEMBL27943511 | 0.82 | ALDH1A1 (0.40) | TSHRHSD11B1PDK2SMN1; SMN2CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL6423662 | 0.82 | ALDH1A1 (0.40) | TSHRHSD11B1PDK2SMN1; SMN2CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL23877542 | 0.82 | TSHR (0.48) | ACHETSHRHSD11B1PTPN1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140011097-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) | 2014-01-09 | — | — | US | disclosed |
| US-8546599-B2 | 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) | 2013-10-01 | — | — | US | disclosed |
| US-20100055576-A1 | tert-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME | MU IONIC SOLUTIONS CORPORATION (JP) | 2010-03-04 | — | — | US | disclosed |
| EP-2133327-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) | 2009-12-16 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100055576-A1 | tert-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME | TERT, TST, TES | ACHE 1240/4885TSHR 760/4885HSD11B1 2744/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.