Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29636893

O=c1[nH]c(CN2CCC[N+]3=C2CCCCC3)c(Cl)c(=O)[nH]1.[Cl-]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMP P19971 19/20 0.56

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
SCHEMBL21071501 0.74 TYMP (0.74) TYMP
Hydrochloric Acid SCHEMBL29636873 0.73 TYMP (0.74) TYMP
Tipiracil SCHEMBL1682960 0.72 TYMP (1.00) TYMP
Tipiracil SCHEMBL1682924 0.71 TYMP (1.00) TYMP
SCHEMBL10054274 0.70 TYMP (0.67) TYMP
SCHEMBL1682985 0.68 TYMP (0.63) TYMP
SCHEMBL1682926 0.68 TYMP (0.59) TYMP
SCHEMBL1682928 0.67 TYMP (0.62) TYMP
Bromide SCHEMBL20184792 0.65 L3MBTL1 (0.53)
SCHEMBL809810 0.64 INMT (0.33)

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
CN-108203437-B Preparation method and application of two kinds of tipiracil impurities 海南先声药业有限公司 2022-05-13 CN disclosed