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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | BRD2 | P25440 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5523106 | 0.96 | CES1 (0.55) | CES1BCHECA1CA2CA9 | |
| Sulfuric Acid SCHEMBL5520060 | 0.74 | GSK3B (0.56) | CES1CA1CA2CA9CASP3 | |
| SCHEMBL4737998 | 0.71 | CES1 (0.71) | CES1BCHECA1CA2CA9 | |
| SCHEMBL18750435 | 0.71 | CA1 (0.56) | CA1CA2CA9ALDH1A1KDM4E | |
| SCHEMBL5529117 | 0.69 | GSK3B (0.60) | CES1CA1CA2CA9CASP3 | |
| SCHEMBL27823260 | 0.69 | CYP1A2 (0.60) | CA1CA2CA9CASP3ALDH1A1 | |
| SCHEMBL5526009 | 0.69 | CES1 (1.00) | CES1BCHECA1CA2CA9 | |
| SCHEMBL7823471 | 0.66 | CES1 (0.64) | CES1BCHECA1CA2CA9 | |
| SCHEMBL18256571 | 0.65 | CES1 (0.71) | CES1BCHECA1CA2CA9 | |
| SCHEMBL31381594 | 0.65 | CES1 (0.62) | CES1BCHECA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070276025-A1 | Indirubin-Type Compounds, Compositions, and Methods for Their Use | MEIJER LAURENT | 2007-11-29 | — | — | US | disclosed |
| EP-1686988-A1 | INDIRUBIN-TYPE COMPOUNDS, COMPOSITIONS, AND METHODS FOR THEIR USE | THE ROCKEFELLER UNIVERSITY (US) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005041954-A1 | INDIRUBIN-TYPE COMPOUNDS, COMPOSITIONS, AND METHODS FOR THEIR USE | THE ROCKEFELLER UNIVERSITY (US) | 2005-05-12 | — | — | WO | 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-20070276025-A1 | Indirubin-Type Compounds, Compositions, and Methods for Their Use | CDK3, GSK3B, CDK7 | CES1 1902/4885BCHE 271/4885CA1 3839/4885 |
“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.