Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10436596

CCCCCCCCCCCCCCCCCCOCC(C[S+]([O-])CCOCC[n+]1cccc2ccccc21)Oc1ncccn1.[Cl-]

nearest known ligand 0.43

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
ACHE known ✓ P22303 6/20 0.42
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 4/20 0.43
HTT P42858 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
RAD52 P43351 2/20 0.43
RGS12 O14924 1/20 0.43
USP2 O75604 1/20 0.43
HSP90AA1 P07900 1/20 0.43
THRB P10828 1/20 0.43
MCL1 Q07820 1/20 0.43
BCHE P06276 6/20 0.42
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 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 SCHEMBL9716386 0.84 HTT (0.43) HTTBCHEACHE
Hydrochloric Acid SCHEMBL9716349 0.83 KMT2A (0.36) NPC1HTTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9716374 0.81 GMNN (0.34) LMNAUSP2
Hydrochloric Acid SCHEMBL9716371 0.81 KMT2A (0.34) NPC1HTTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9716259 0.81 KDM4A (0.33)
SCHEMBL9716261 0.79 MEN1 (0.40) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9716257 0.79 MEN1 (0.43) HTTSMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9716279 0.78 GGPS1 (0.35) KDM4ENPC1HTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9716408 0.78 PRKD3 (0.45) SMN1; SMN2MEN1KMT2ANPSR1LMNA
Hydrochloric Acid SCHEMBL9716322 0.77 PRKD3 (0.44) SMN1; SMN2MEN1KMT2ANPSR1LMNA

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-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed