Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL2102342 | 0.89 | TSHR (0.40) | KDM4E | |
| Sulfuric Acid SCHEMBL2102338 | 0.82 | CA12 (0.32) | — | |
| SCHEMBL8504637 | 0.80 | KDM4E (0.33) | KDM4ETP53 | |
| Cyclopropane SCHEMBL8849477 | 0.80 | KDM4E (0.33) | KDM4ETP53 | |
| SCHEMBL2857671 | 0.80 | — | — | |
| SCHEMBL19307668 | 0.80 | KDM4E (0.33) | KDM4ETP53 | |
| SCHEMBL12757222 | 0.80 | KDM4E (0.33) | KDM4ETP53 | |
| SCHEMBL16566642 | 0.80 | KDM4E (0.33) | KDM4ETP53 | |
| SCHEMBL29252827 | 0.80 | CA12 (0.31) | — | |
| SCHEMBL14118850 | 0.78 | CA12 (0.30) | — |
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-20080033173-A1 | Method for the Production of Quaternary Ammonia Compounds at Atomospheric Pressure | BASF AKTIENGESELLSCHAFT (DE) | 2008-02-07 | — | — | US | claimed |
| US-8163951-B2 | Method for producing quaternary ammonium compounds | BASF AKTIENGESELLSCHAFT (DE) | 2012-04-24 | — | — | US | disclosed |
| US-20080033173-A1 | Method for the Production of Quaternary Ammonia Compounds at Atomospheric Pressure | BASF AKTIENGESELLSCHAFT (DE) | 2008-02-07 | — | — | US | disclosed |
| US-20070254822-A1 | Method for Producing Quaternary Ammonium Compounds | BASF AKTIENGESELLSCHAFT (DE) | 2007-11-01 | — | — | US | disclosed |