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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.65 |
| ▸ | CA2 | P00918 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA7 | P43166 | 1/20 | 0.65 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1070131 | 0.88 | NPC1 (0.73) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL27796641 | 0.87 | CA1 (0.68) | CA1CA2CA9CA12CA7 | |
| Methane SCHEMBL28866356 | 0.84 | NPC1 (0.68) | CA1CA2CA9CA12CA7 | |
| SCHEMBL9456979 | 0.83 | NPC1 (0.80) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6770143 | 0.82 | CA12 (0.54) | CA1CA2CA9CA12CA7 | |
| SCHEMBL10708208 | 0.81 | CA1 (0.76) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL7793542 | 0.80 | KCNA3 (0.54) | NPC1RAB9ATAAR1ALDH1A1RECQL | |
| Benzylphenylether SCHEMBL4275393 | 0.80 | LMNA (0.64) | CA1CA2CA9CA12CA7 | |
| SCHEMBL11857770 | 0.80 | NPC1 (0.69) | CA1CA2CA9CA12CA7 | |
| Phenoxyethanol SCHEMBL5769895 | 0.80 | ALDH1A1 (0.79) | NPC1RAB9AGAATAAR1ALDH1A1 |
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-6743820-B2 | ADMINISTERING TO THE EPITHELIUM AN EFFECTIVE AMOUNT OF AN AGENT COMPRISING: A) AT LEAST ONE AROMATIC GROUP; B) AT LEAST ONE SULFATE OR METALSULFATE GROUP AND C) A SUBSTITUENT GROUPS ON THE RING | UNIVERSITY OF TOLEDO | 2004-06-01 | — | — | US | disclosed |
| US-20020052408-A1 | Methods for protection of stratified squamous epithelium against injury by noxious substances and novel agents for use therefor | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-05-02 | — | — | US | disclosed |
| WO-2002004411-A1 | METHODS FOR PROTECTION OF STRATIFIED SQUAMOUS EPITHELIUM AGAINST INJURY BY NOXIOUS SUBSTANCES AND NOVEL AGENTS FOR USE THEREFOR | THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) | 2002-01-17 | — | — | 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-20020052408-A1 | Methods for protection of stratified squamous epithelium against injury by noxious substances and novel agents for use therefor | HRH2, NR1H4, NCEH1 | CA1 251/4885CA2 300/4885CA9 840/4885 |
“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.