Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7177948

CCCCn1ccnc1-c1cccc(-c2nccn2CCCC)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

nearest known ligand 0.57

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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 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
TLR8 Q9NR97 9/20 0.50
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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 SCHEMBL7180452 0.97 ALDH1A1 (0.57) ALDH1A1POLBKMT2ATLR8ESR1
Hydrochloric Acid SCHEMBL7178580 0.97 ALDH1A1 (0.57) ALDH1A1POLBKMT2ATLR8ESR1
Hydrochloric Acid SCHEMBL7182475 0.97 ALDH1A1 (0.57) ALDH1A1POLBKMT2ATLR8ESR1
Hydrochloric Acid SCHEMBL7178422 0.97 ALDH1A1 (0.57) ALDH1A1POLBKMT2ATLR8ESR1
Hydrochloric Acid SCHEMBL7182544 0.97 ALDH1A1 (0.57) ALDH1A1POLBKMT2ATLR8ESR1
SCHEMBL27908771 0.84 POLB (0.57) ALDH1A1POLBKMT2ATLR8ESR1
Hydrochloric Acid SCHEMBL7173136 0.83 KMT2A (0.43) ALDH1A1POLBKMT2ATLR8ESR1
SCHEMBL10005373 0.82 ALDH1A1 (0.74) ALDH1A1POLBKMT2ATLR8ESR1
Hydrochloric Acid SCHEMBL7175727 0.80 KMT2A (0.43) ALDH1A1POLBKMT2AESR1CYP3A4
Hydrochloric Acid SCHEMBL7177916 0.80 KMT2A (0.43) ALDH1A1POLBKMT2AESR1CYP3A4

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
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed