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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 2/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17746610 | 0.85 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL148929 | 0.84 | ALDH1A1 (0.39) | — | |
| Water SCHEMBL1506765 | 0.81 | ALDH1A1 (0.36) | — | |
| Iodide SCHEMBL17865375 | 0.81 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11313405 | 0.81 | ALDH1A1 (0.36) | — | |
| Sulfuric Acid SCHEMBL5424306 | 0.80 | CA5A (0.33) | CA5ACA5BTP53KDM4EBLM | |
| Acetic Acid SCHEMBL5532865 | 0.77 | FFAR3 (0.41) | TP53BLMCYP2D6 | |
| Formic Acid SCHEMBL4634652 | 0.77 | — | — | |
| SCHEMBL8727456 | 0.74 | CA1 (0.30) | CA5ACA5BCA1CA2TSHR | |
| Sulfuric Acid SCHEMBL700467 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1663486-A4 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN SPEC CHEM CORP (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20070282026-A1 | Low-Odor Catalyst for Isocyanate-Derived Foams and Elastomers | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2007-12-06 | — | — | US | disclosed |
| EP-1663486-A2 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005009601-A2 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |