Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7937385

C1=C(c2ccccc2)C([Zr+2]C2C(c3ccccc3)=Cc3ccccc32)c2ccccc21.C1=C(c2ccccc2)C([Zr+2]C2C(c3ccccc3)=Cc3ccccc32)c2ccccc21.[Cl-].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.34

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 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CYP19A1 P11511 2/20 0.34
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
ALDH1A1 P00352 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 SCHEMBL1681583 1.00 CYP11B1 (0.34) CYP11B1CYP11B2CYP19A1CFTRGOPC
Hydrochloric Acid SCHEMBL7193279 0.96 ALDH1A1 (0.33) CYP11B1CYP11B2CYP19A1ALDH1A1
Fluoride Ion SCHEMBL1130843 0.96 CYP19A1 (0.31) CYP11B1CYP11B2CYP19A1CFTRGOPC
Hydrochloric Acid SCHEMBL6287547 0.88 KMO (0.33) CYP11B1CYP11B2CYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL6287243 0.87 CYP11B1 (0.32) CYP11B1CYP11B2CYP19A1ALDH1A1
Hydrochloric Acid SCHEMBL31621285 0.86 CYP19A1 (0.30) CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL6287308 0.85 HTR2C (0.33) CYP11B2
Hydrochloric Acid SCHEMBL22572737 0.85 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL27182248 0.84 CYP11B1 (0.33) CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL7638510 0.84

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157047-A1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP Corporation North America Inc. (US) 2001-11-28 EP disclosed
WO-2000035975-A1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. (US) 2000-06-22 WO disclosed