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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.43 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL725176 | 0.89 | PDE10A (0.54) | CYP1A2KDM4EPDE10AGPBAR1CYSLTR1 | |
| Iodide SCHEMBL1343671 | 0.88 | PDE10A (0.53) | CYP1A2KDM4EPDE10AGPBAR1CYSLTR1 | |
| SCHEMBL29047068 | 0.88 | PDE10A (0.53) | CYP1A2KDM4EPDE10AGPBAR1CYSLTR1 | |
| SCHEMBL28437259 | 0.86 | KDM4E (0.50) | CYP1A2KDM4EPDE10AMEN1GAA | |
| SCHEMBL6367036 | 0.86 | KDM4E (0.50) | CYP1A2KDM4EPDE10AMEN1GAA | |
| SCHEMBL28709736 | 0.83 | PDE10A (0.49) | CYP1A2KDM4EPDE10AGPBAR1CYSLTR1 | |
| SCHEMBL10910525 | 0.83 | GPBAR1 (0.51) | CYP1A2PDE10AGPBAR1CYSLTR1CYSLTR2 | |
| Sulfuric Acid SCHEMBL28670154 | 0.82 | CYP1A2 (0.45) | CYP1A2PDE10AGPBAR1CYSLTR1CYSLTR2 | |
| Sulfuric Acid SCHEMBL3119154 | 0.81 | CYSLTR1 (0.50) | CYP1A2PDE10AGPBAR1CYSLTR1CYSLTR2 | |
| SCHEMBL4376467 | 0.79 | CYP1A2 (0.51) | CYP1A2PDE10AGPBAR1CYSLTR1CYSLTR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109722282-B | Method for preparing alkylate | 中国石油化工股份有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-109722282-A | A method of preparing alkylate oil | 中国石油化工股份有限公司 | 2019-05-07 | — | — | CN | disclosed |