Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28470855

C=CC(=O)NC[N+](C)(C)CCCCCCCCCCCC.[Cl-]

nearest known ligand 0.57

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 16)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.57
ZDHHC2 Q9UIJ5 1/20 0.57
HTT P42858 2/20 0.44
DNM1 Q05193 9/20 0.42
HSP90AA1 P07900 2/20 0.42
RAD52 P43351 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KMT2A Q03164 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL29142619 0.92 ZDHHC20 (0.53) ZDHHC20ZDHHC2HTTDNM1KMT2A
Hydrochloric Acid SCHEMBL336794 0.86 ZDHHC20 (0.46) ZDHHC20ZDHHC2KMT2ATHRATHRB
Hydrochloric Acid SCHEMBL11232338 0.86 ZDHHC20 (0.70) ZDHHC20ZDHHC2HTTDNM1HSP90AA1
Hydrochloric Acid SCHEMBL29634898 0.86 ZDHHC20 (0.65) ZDHHC20ZDHHC2HTTDNM1HSP90AA1
Hydrochloric Acid SCHEMBL2489185 0.86 ZDHHC20 (0.70) ZDHHC20ZDHHC2HTTDNM1HSP90AA1
Hydrochloric Acid SCHEMBL3046560 0.86 ZDHHC20 (0.70) ZDHHC20ZDHHC2HTTDNM1HSP90AA1
Hydrochloric Acid SCHEMBL28572838 0.86 ZDHHC20 (0.70) ZDHHC20ZDHHC2HTTDNM1HSP90AA1
Hydrochloric Acid SCHEMBL10416603 0.85 ZDHHC20 (0.59) ZDHHC20ZDHHC2DNM1THRATHRB
SCHEMBL4126549 0.84 ZDHHC20 (0.47) ZDHHC20ZDHHC2DNM1KMT2ATHRA
SCHEMBL16799012 0.84 ZDHHC20 (0.72) ZDHHC20ZDHHC2HTTDNM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111836667-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2024-02-23 CN disclosed
CN-112739454-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2024-01-09 CN disclosed
CN-111836667-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2020-10-27 CN disclosed