Sulfuric Acid

Sulfuric Acid

SCHEMBL9784580

CCCCCCCCCCCCCCCCCCN1CCCCC1.CCCCCCCCCCCCCCCCCCN1CCCCC1.O=S(=O)(O)O

nearest known ligand 0.77

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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 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.58
KDM4E B2RXH2 1/20 0.51
GNAI3 P08754 3/20 0.48
GNAO1 P09471 3/20 0.48
GNAI1 P63096 3/20 0.48
BCHE P06276 4/20 0.47
GUSB P08236 2/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
RAD52 P43351 1/20 0.44

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
Sulfuric Acid SCHEMBL10335567 1.00 HRH3 (0.58) HRH3KDM4EGNAI3GNAO1GNAI1
Sulfuric Acid SCHEMBL28074244 0.98 HRH3 (0.54) HRH3KDM4EGNAI3GNAO1GNAI1
SCHEMBL29252320 0.94 HRH3 (0.56) HRH3KDM4EGNAI3GNAO1GNAI1
SCHEMBL30331433 0.94 HRH3 (0.56) HRH3KDM4EGNAI3GNAO1GNAI1
SCHEMBL29252145 0.94 HRH3 (0.56) HRH3KDM4EGNAI3GNAO1GNAI1
SCHEMBL29251816 0.94 HRH3 (0.56) HRH3KDM4EGNAI3GNAO1GNAI1
SCHEMBL30330091 0.94 HRH3 (0.56) HRH3KDM4EGNAI3GNAO1GNAI1
SCHEMBL29252756 0.94 HRH3 (0.56) HRH3KDM4EGNAI3GNAO1GNAI1
SCHEMBL21829189 0.92 HRH3 (0.52) HRH3KDM4EGNAI3GNAO1GNAI1
SCHEMBL16700927 0.92 HRH3 (0.52) HRH3KDM4EGNAI3GNAO1GNAI1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997672-A Cetylpyridinium chloride VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-03-05 US disclosed
EP-0305469-A4 SALT TASTE ENHANCER 1990-12-27 EP disclosed
EP-0305469-A1 SALT TASTE ENHANCER CENTER FOR INNOVATIVE TECHNOLOGY (US) 1989-03-08 EP disclosed
WO-1988006850-A1 SALT TASTE ENHANCER CENTER FOR INNOVATIVE TECHNOLOGY (US) 1988-09-22 WO disclosed