Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10627872

C[C@H](CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ni+2]

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
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 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 SCHEMBL7834687 1.00 CYP3A4 (0.32) CYP3A4TDP1
Hydrochloric Acid SCHEMBL4527828 0.96 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL613867 0.96 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL613866 0.96 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL3310231 0.96 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL7196495 0.94 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL828451 0.94 CYP3A4 (0.33) CYP3A4TDP1
SCHEMBL5177211 0.94 CYP3A4 (0.33) CYP3A4TDP1
Hydrochloric Acid SCHEMBL9740749 0.92 CYP3A4 (0.32) CYP3A4TDP1
Hydrochloric Acid SCHEMBL4527827 0.92 CYP3A4 (0.32) CYP3A4TDP1

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-4723033-A REACTING ALPHA METAL ACID DERIVATIVE AND ARYL HALIDE WITH OPTICALLY ACTIVE CATALYST SYNTEX PHARMACEUTICALS INTERNATIONAL LTD. (BM) 1988-02-02 US disclosed