Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6553974

CC(C)=[Zr+2](C1=CC=CC1)c1cc(C)cc2c1Cc1ccccc1-2.[Cl-].[Cl-]

nearest known ligand 0.32

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 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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 SCHEMBL16594093 0.89 METAP1 (0.31)
Hydrochloric Acid SCHEMBL6553914 0.88 SRD5A2 (0.33)
Hydrochloric Acid SCHEMBL216652 0.85 NPC1 (0.40) NPC1RAB9A
SCHEMBL4577365 0.83 NPC1 (0.40) NPC1RAB9A
Fluoride Ion SCHEMBL1130885 0.83 NPC1 (0.40) NPC1RAB9A
Bromide SCHEMBL7930572 0.83 NPC1 (0.40) NPC1RAB9A
Iodide SCHEMBL7931400 0.83 NPC1 (0.40) NPC1RAB9A
Hydrochloric Acid SCHEMBL6553412 0.81
Hydrochloric Acid SCHEMBL6555607 0.79 ALDH1A1 (0.31)
Hydrochloric Acid SCHEMBL16594375 0.79 TYRO3 (0.34)

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-0773237-B1 Olefin polymerization catalyst system MITSUI CHEMICALS INC (JP) 2004-02-18 EP disclosed