Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17698592

CCc1ccc2c(c1)C([Zr+2]C1C=Cc3ccc(-c4ccccc4)cc31)c1cc(CC)ccc1-2.[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
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCL2 P10415 1/20 0.33
MAPKAPK2 P49137 1/20 0.31
PTGS2 P35354 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL5078519 0.83 EDNRB (0.35) EDNRBEDNRAMAPTNPC1LMNA
Hydrochloric Acid SCHEMBL3685212 0.82 ALDH1A1 (0.33) MAPTNPC1ALDH1A1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL2866626 0.74 BCL2 (0.35) EDNRBEDNRAMAPTNPC1ALDH1A1
SCHEMBL22797325 0.72 BCL2 (0.42) EDNRBEDNRAMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL5352100 0.72 ALDH1A1 (0.46) EDNRBEDNRAMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL17698590 0.71 NPC1 (0.31) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL2866629 0.70 BCL2 (0.33) EDNRBEDNRABCL2
Hydrochloric Acid SCHEMBL7272244 0.68 ELANE (0.36) EDNRBEDNRAMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL2861106 0.68 BCL2 (0.38) EDNRBEDNRAMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL2479388 0.66 CYP1A2 (0.38) EDNRBEDNRAMAPK1

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-1473323-B1 Polyethylene composition and process for producing same TOSOH CORP (JP) 2016-04-27 EP disclosed