Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8510211

CCC(C)(C)C1=C([Zr+2](=C(c2ccccc2)c2ccccc2)c2cccc3c2Cc2ccccc2-3)CC=C1.[Cl-].[Cl-]

nearest known ligand 0.33

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 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
Hydrochloric Acid SCHEMBL8509884 0.91 PNMT (0.33) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL2860376 0.89 PNMT (0.35) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL6554860 0.83 NPC1 (0.34) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL8513747 0.82
Hydrochloric Acid SCHEMBL2859893 0.79 NPC1 (0.36) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL10320383 0.78 PNMT (0.41) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL8510219 0.76 NPC1 (0.32) NPC1RAB9A
Hydrochloric Acid SCHEMBL6553949 0.75 NPC1 (0.34) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL675553 0.74 NAT1 (0.30)
Hydrochloric Acid SCHEMBL675201 0.74 KIT (0.31)

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
US-20120135903-A1 LUBRICATING OIL COMPOSITION MITSUI CHEMICALS, INC. 2012-05-31 US disclosed