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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.56 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.56 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.56 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.56 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.56 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3251917 | 0.97 | ESR1 (0.55) | ESR1PGRCHRM2HTR1AADRA2A | |
| Fumaric Acid SCHEMBL3263049 | 0.92 | ESR1 (0.51) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL3255132 | 0.88 | ESR1 (0.55) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL29378821 | 0.85 | ESR1 (0.53) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL3251183 | 0.85 | ESR1 (0.53) | ESR1PGRCHRM2HTR1AADRA2A | |
| SCHEMBL6594991 | 0.83 | ESR1 (0.49) | ESR1PGRCHRM2HTR1AADRA2A | |
| SCHEMBL6597935 | 0.83 | ESR1 (0.49) | ESR1PGRCHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL6594179 | 0.83 | ABCB11 (0.50) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL6139507 | 0.82 | ESR1 (0.51) | ESR1PGRCHRM2HTR1AADRA2A | |
| Celivarone SCHEMBL1543451 | 0.80 | ESR1 (0.49) | ESR1PGRCHRM2HTR1AADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1315709-B1 | AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME | SANOFI AVENTIS (FR) | 2010-05-26 | — | — | EP | claimed |