Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9016935

COC1=C2CCC3=C(OC)C([Zr+2]C1c1ccccc12)c1ccccc13.[Cl-].[Cl-]

nearest known ligand 0.34

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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 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.34
PTGS2 P35354 1/20 0.34
HRH1 P35367 1/20 0.34
HTR3A P46098 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 2/20 0.33
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAP2K7 O14733 1/20 0.31
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 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 SCHEMBL7933267 0.81
Hydrochloric Acid SCHEMBL8207360 0.79 BCHE (0.31)
Hydrochloric Acid SCHEMBL811670 0.79 BCHE (0.31)
Hydrochloric Acid SCHEMBL218728 0.79 ADRA2C (0.36) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL7198152 0.76 BCHE (0.30)
Hydrochloric Acid SCHEMBL7938087 0.76 ADRA2C (0.32) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL7193926 0.76 ADRA2C (0.32) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL7939059 0.76 BCHE (0.30)
Hydrochloric Acid SCHEMBL9016923 0.76 POLB (0.34) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL5407574 0.75 BCHE (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-5504232-A Process for the preparation of an olefin polymer using specific metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed