Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7874554

CCOc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

nearest known ligand 0.50

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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
SLC6A2 known ✓ P23975 6/20 0.45
SLC6A3 known ✓ Q01959 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 2/20 0.49
POLB P06746 1/20 0.49
SLC6A4 P31645 6/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CACNA1F O60840 2/20 0.45
CACNA1D Q01668 2/20 0.45
KCNH2 Q12809 2/20 0.45
CACNA1S Q13698 2/20 0.45
CACNA1C Q13936 2/20 0.45
ALDH1A1 P00352 4/20 0.43
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42

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
Water SCHEMBL4390658 0.97 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1ATMPOLB
Bromide SCHEMBL4183772 0.97 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1ATMPOLB
Phenol SCHEMBL7877220 0.91 L3MBTL1 (0.45) L3MBTL1MAPTNPSR1ATMPOLB
SCHEMBL4383103 0.89 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1ATMPOLB
Acetic Acid SCHEMBL7874644 0.88 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1ATMPOLB
Benzoic Acid SCHEMBL7874754 0.84 MRGPRX4 (0.44) L3MBTL1MAPTNPSR1ATMPOLB
Bromide SCHEMBL4171091 0.83 SLC6A2 (0.47) L3MBTL1MAPTNPSR1ATMSLC6A2
Hydrochloric Acid SCHEMBL8703957 0.83 ABCB1 (0.36) L3MBTL1MAPTNPSR1ATMPOLB
Hydrochloric Acid SCHEMBL5829422 0.82 L3MBTL1 (0.47) L3MBTL1MAPTATMSLC6A2SLC6A4
Bromide SCHEMBL3593928 0.82 CYP1A2 (0.47) L3MBTL1MAPTNPSR1ATMSLC6A2

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-6316575-B1 MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE IDEMITSU KOSAN CO., LTD. (JP) 2001-11-13 US claimed