Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2387079

CC(C)=C1C=CC=C1[Zr+2]C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21.[Cl-].[Cl-]

nearest known ligand 0.31

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
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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 SCHEMBL8463933 0.90
Hydrochloric Acid SCHEMBL1072554 0.81 ACHE (0.34)
Hydrochloric Acid SCHEMBL1072445 0.76 ACHE (0.31)
Hydrochloric Acid SCHEMBL1073498 0.74
Hydrochloric Acid SCHEMBL1073207 0.73 TRPV1 (0.32)
Hydrochloric Acid SCHEMBL1072979 0.72
Hydrochloric Acid SCHEMBL2862395 0.70 NPC1 (0.31) CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL1072345 0.70
Bromide SCHEMBL6230020 0.68 NPC1 (0.31) CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7524396 0.64

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-8017705-B2 Process for production of syndiotactic propylene polymer MITSUI CHEMICALS, INC. (JP) 2011-09-13 US disclosed