Sulfuric Acid

Sulfuric Acid

SCHEMBL9797625

Cl.N[C@@H](Cc1cnc[nH]1)C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1.O=S(=O)(O)O

nearest known ligand 0.61

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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 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.61
▸ SLC7A5 Q01650 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.50
▸ HRH4 Q9H3N8 2/20 0.50
▸ HRH3 Q9Y5N1 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1537285 0.93 CYP3A4 (0.71) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL9082370 0.87 CYP3A4 (0.63) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL15911724 0.87 CYP3A4 (0.63) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL3457999 0.86 CYP3A4 (0.61) CYP3A4SLC7A5ALDH1A1HRH4HRH3
Water SCHEMBL4467558 0.86 CYP3A4 (0.61) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL5221763 0.85 CYP3A4 (0.65) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL153062 0.85 CYP3A4 (0.69) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL388562 0.85 CYP3A4 (0.73) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL1673656 0.84 CYP3A4 (0.60) CYP3A4SLC7A5ALDH1A1HRH4HRH3
SCHEMBL8373019 0.84 CYP3A4 (0.60) CYP3A4SLC7A5ALDH1A1HRH4HRH3

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407045-A1 Safe sodium percarbonate composition TOKAI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-01-09 — — EP disclosed
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