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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL103502 | 0.89 | — | — | |
| Sulfuric Acid SCHEMBL27924108 | 0.87 | CYP2C19 (0.50) | TDP1ALDH1A1CYP2C19CA2POLB | |
| Hydrochloric Acid SCHEMBL8921344 | 0.87 | — | — | |
| Acetic Acid SCHEMBL8922876 | 0.82 | TDP1 (0.50) | TDP1ALDH1A1CYP2C19CA2ACHE | |
| Butanone SCHEMBL29275306 | 0.82 | TDP1 (0.57) | TDP1ALDH1A1CYP2C19CA2POLB | |
| SCHEMBL28357119 | 0.81 | TDP1 (0.59) | TDP1ALDH1A1CYP2C19CA2POLB | |
| Formic Acid SCHEMBL8921538 | 0.80 | TDP1 (0.43) | TDP1ALDH1A1CYP2C19CA2POLB | |
| SCHEMBL12258211 | 0.80 | CYP2C19 (0.45) | TDP1ALDH1A1CYP2C19CA2POLB | |
| Methyl Isobutyl Ketone SCHEMBL8231134 | 0.80 | TDP1 (0.70) | TDP1ALDH1A1CYP2C19CA2POLB | |
| SCHEMBL15209452 | 0.77 | TDP1 (0.45) | TDP1ALDH1A1CYP2C19CA2POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5675002-A | PURIFYING PHTHALOCYANINE PIGMENTS IN WATER BY TREATING WITH A TWO-PHASE SYSTEM COMPRISING A WATER-IMMISCIBLE WETTING PHASE AND A WATER/ACID PHASE TO DISSOLVE IMPURITIES | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-07 | — | — | US | disclosed |