Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9716282

CCCCCc1ccc2cc(CC(Oc3ncccn3)C(OCCC)[S+]([O-])CCOCC[n+]3ccccc3)ccc2c1.[Cl-]

nearest known ligand 0.42

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 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
APAF1 O14727 2/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAD52 P43351 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 SCHEMBL9716275 0.79 HTT (0.42) HTTMAPTMAPK1APAF1THRB
Hydrochloric Acid SCHEMBL9716273 0.76 HTT (0.38) HTTMAPTMAPK1APAF1THRB
SCHEMBL9716367 0.72
Hydrochloric Acid SCHEMBL9716349 0.66 KMT2A (0.36) HTTMAPTMAPK1APAF1THRB
SCHEMBL9716287 0.66 MEN1 (0.41) MAPK1MEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9716418 0.65 KMT2A (0.35) HTTMAPTMAPK1APAF1THRB
Hydrochloric Acid SCHEMBL9716371 0.65 KMT2A (0.34) HTTMAPTMAPK1APAF1THRB
Hydrochloric Acid SCHEMBL9716279 0.62 GGPS1 (0.35) HTTMAPTAPAF1MEN1KMT2A
SCHEMBL13527327 0.59 MEN1 (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL13527325 0.59 MEN1 (0.49) HTTMAPTMAPK1APAF1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed