Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2904055

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

nearest known ligand 0.39

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
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.39
DNM1 Q05193 8/20 0.38
HSP90AA1 P07900 4/20 0.38
PLA2G1B P04054 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
RAD52 P43351 2/20 0.38
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 3/20 0.36
BLM P54132 2/20 0.36
GALR3 O60755 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL28946656 0.82 BBOX1 (0.48) TSHRKMT2AMAPTBLMGALR3
Hydrochloric Acid SCHEMBL2988641 0.82 MAPT (0.42) TSHRHPGDMAPTBLMGALR3
SCHEMBL28946676 0.80 BBOX1 (0.53) TSHRKMT2AMAPTBLMGALR3
Hydrochloric Acid SCHEMBL28658476 0.79 TSHR (0.41) TSHRHPGDDNM1HSP90AA1RAD52
Hydrochloric Acid SCHEMBL29171399 0.79 TSHR (0.41) TSHRHPGDDNM1HSP90AA1RAD52
Hydrochloric Acid SCHEMBL10684441 0.79 TSHR (0.41) TSHRHPGDDNM1HSP90AA1RAD52
Hydrochloric Acid SCHEMBL7870981 0.79 TSHR (0.41) TSHRHPGDDNM1HSP90AA1RAD52
SCHEMBL7592554 0.78 TSHR (0.42) TSHRHPGDHTTDNM1KMT2A
SCHEMBL13727578 0.78 TSHR (0.42) TSHRHPGDHTTDNM1KMT2A
SCHEMBL19347553 0.78 TSHR (0.42) TSHRHPGDHTTDNM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516926-B Curable compositions and biofilm-resistant coatings therefrom 3M INNOVATIVE PROPERTIES CO 2011-08-03 CN disclosed
EP-2069410-B1 CURABLE COMPOSITIONS AND BIOFILM-RESISTANT COATINGS THEREFROM 3M INNOVATIVE PROPERTIES CO (US) 2010-08-25 EP disclosed
US-7585919-B2 Polymer derived from monomers with long-chain aliphatic, poly(oxyalkylene) and substrate-reactive groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-08 US disclosed
CN-101516926-A Curable compositions and biofilm-resistant coatings therefrom 3M INNOVATIVE PROPERTIES CO (US) 2009-08-26 CN disclosed
EP-2069410-A1 CURABLE COMPOSITIONS AND BIOFILM-RESISTANT COATINGS THEREFROM 3M Innovative Properties Company (US) 2009-06-17 EP disclosed
WO-2008039670-A1 CURABLE COMPOSITIONS AND BIOFILM-RESISTANT COATINGS THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-04-03 WO disclosed
US-20080075960-A1 CURABLE COMPOSITIONS AND BIOFILM-RESISTANT COATINGS THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2008-03-27 US disclosed