Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5603772

C(Cc1cccc(CC=Nc2cccc3ccccc23)n1)=Nc1cccc2ccccc12.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.41

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
L3MBTL1 Q9Y468 5/20 0.41
POLB P06746 2/20 0.41
CHAT P28329 1/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
DHODH Q02127 2/20 0.39
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 4/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL21239558 0.97 L3MBTL1 (0.43) L3MBTL1POLBCHATMEN1KMT2A
Hydrochloric Acid SCHEMBL7095603 0.81 CYP2C9 (0.45) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL31252498 0.81 DHODH (0.41) L3MBTL1POLBCHATMEN1KMT2A
SCHEMBL7075027 0.81 DHODH (0.41) L3MBTL1POLBCHATMEN1KMT2A
Hydrochloric Acid SCHEMBL39595 0.77 ALDH1A1 (0.45) ALDH1A1TDP1MAPTSIGMAR1GRIN2D
SCHEMBL21239580 0.77 MAPT (0.41) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL5362668 0.77 CYP2C9 (0.47) L3MBTL1POLBALDH1A1TDP1HPGD
SCHEMBL6062806 0.74 CYP3A4 (0.38) ALDH1A1CYP3A4SIGMAR1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6279930 0.74 NOS3 (0.35) HPGDCYP1A2CYP3A4HTR2BLMNA
SCHEMBL21239492 0.73 NOS3 (0.36) MEN1KMT2AALDH1A1MAPTSIGMAR1

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
EP-1562705-A4 NEW CATALYST STRUCTURE FOR OLEFIN POLYMERIZATION FINA TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1562705-A2 NEW CATALYST STRUCTURE FOR OLEFIN POLYMERIZATION FINA TECHNOLOGY, INC. (US) 2005-08-17 EP disclosed
WO-2004047972-A2 NEW CATALYST STRUCTURE FOR OLEFIN POLYMERIZATION FINA TECHNOLOGY, INC. (US) 2004-06-10 WO disclosed