Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2463013

O=[N+]([O-])c1ccc(-[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)c([N+](=O)[O-])c1.[Cl-].[Cl-]

nearest known ligand 0.56

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
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
ATM Q13315 1/20 0.56
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
HSP90AA1 P07900 1/20 0.43
TLR9 Q9NR96 1/20 0.43
RCE1 Q9Y256 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL30109383 0.99 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL8068701 0.87 NPC1 (0.67) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29618182 0.86 RAB9A (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13648647 0.86 RAB9A (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL30343291 0.84 NPC1 (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL599994 0.84 NPC1 (0.65) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11694301 0.83 NPC1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL12216699 0.82 NPC1 (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
Bromide SCHEMBL5144105 0.82 NPC1 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL2259707 0.82 NPC1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E

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
US-8014056-B2 Display element and method of driving the same KONICA MINOLTA HOLDINGS, INC. (JP) 2011-09-06 US disclosed
US-20100091353-A1 DISPLAY ELEMENT AND METHOD OF DRIVING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2010-04-15 US disclosed
EP-2096490-A1 DISPLAY ELEMENT AND METHOD OF DRIVING THE SAME Konica Minolta Holdings, Inc. (JP) 2009-09-02 EP disclosed