Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3889858

CC1=CCC(Cc2ccccc2)=C1[Zr+2]C1=C(Cc2ccccc2)CC=C1C.[Cl-].[Cl-]

nearest known ligand 0.37

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 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.37
TAAR1 Q96RJ0 3/20 0.33
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 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 SCHEMBL3894154 0.69
SCHEMBL2352229 0.66 CALM1 (0.52) CALM1TAAR1BCL2BCL2L1LMNA
SCHEMBL9566501 0.63 CALM1 (0.61) CALM1TAAR1BCL2BCL2L1LMNA
SCHEMBL1923108 0.61 CALM1 (0.58) CALM1TAAR1BCL2BCL2L1LMNA
Fluoride Ion SCHEMBL1131310 0.60
Diphenylmethane SCHEMBL29700351 0.60 CALM1 (0.86) CALM1TAAR1BCL2BCL2L1LMNA
Diphenylmethane SCHEMBL27450549 0.60 CALM1 (0.86) CALM1TAAR1BCL2BCL2L1LMNA
SCHEMBL6253349 0.59 CALM1 (0.42) CALM1TAAR1BCL2BCL2L1LMNA
SCHEMBL6251956 0.59 CALM1 (0.42) CALM1TAAR1BCL2BCL2L1LMNA
Diphenylmethane SCHEMBL3792579 0.59 CALM1 (1.00) CALM1BCL2BCL2L1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1241188-B1 COMPONENT OF CATALYST FOR OLEFIN POLYMERIZATION JAPAN POLYCHEM CORP (JP) 2009-01-21 EP disclosed
US-6677411-B2 AS CATALYST SUPPORT AN ION-EXCHANGE LAYERED SILICATE HAVING A SPECIFIC PORE SIZE DISTRIBUTION CURVE JAPAN POLYCHEM CORPORATION (JP) 2004-01-13 US disclosed
US-20030027950-A1 Component of catalyst for olefin polymerization JAPAN POLYCHEM CORPORATION (JP) 2003-02-06 US disclosed
EP-1241188-A1 COMPONENT OF CATALYST FOR OLEFIN POLYMERIZATION Japan Polychem Corporation (JP) 2002-09-18 EP disclosed