Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4369333

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

nearest known ligand 0.35

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 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
SLC22A16 Q86VW1 1/20 0.35
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
PSMD14 O00487 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
CBLB Q13191 1/20 0.32
CRAT P43155 1/20 0.30
GALR3 O60755 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12985168 0.98 SLC22A16 (0.36) MAPTSLC22A16KMT2AATMCPT2
Hydrochloric Acid SCHEMBL14736711 0.92 CBLB (0.30) MAPTSLC22A16CBLB
SCHEMBL14443964 0.92 SLC22A16 (0.32) SLC22A16KMT2AATM
SCHEMBL13591404 0.92 SLC22A16 (0.33) MAPTSLC22A16KMT2AATMCPT2
SCHEMBL1755130 0.91 SLC22A16 (0.31) SLC22A16KMT2AATMCBLB
Hydrochloric Acid SCHEMBL10337213 0.90 TGFBR1 (0.34) KMT2AATMPSMD14PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL14736804 0.90 CBLB (0.30) SLC22A16CBLB
SCHEMBL5077560 0.88 CBLB (0.30) CBLB
SCHEMBL10337176 0.88 TGFBR1 (0.35) KMT2AATMPSMD14PLA2G1BHSP90AA1
SCHEMBL7559782 0.86 KMT2A (0.35) KMT2AATMCBLB

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
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO disclosed
EP-1500745-A1 METHOD FOR PRODUCING PAPER AND AGENT FOR IMPROVING YIELD Seiko PMC Corporation (JP) 2005-01-26 EP disclosed
US-5115065-A Bisquaternary ammonium (meth)acrylamide polymer for increased paper strength and filler retention DIC-HERCULES CHEMICALS, INC. (JP) 1992-05-19 US disclosed