Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6905914

[Cl-].[Cl-].c1ccc(C(c2ccccc2)=[Ti+2](C2c3ccccc3-c3ccccc32)C2c3ccccc3-c3ccccc32)cc1

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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
HBB P68871 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
GPR3 P46089 1/20 0.33
HTR2A P28223 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 3/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
LMNA P02545 2/20 0.31

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 SCHEMBL6911183 0.83
Hydrochloric Acid SCHEMBL6903918 0.81 ATM (0.30) ATM
Hydrochloric Acid SCHEMBL6909253 0.78 HTT (0.32) MAPTHTTLMNAALDH1A1TDP1
Hydrochloric Acid SCHEMBL714923 0.75 POLB (0.42) HDAC3HDAC4HDAC7HDAC8HDAC6
Hydrochloric Acid SCHEMBL2053496 0.73 KMT2A (0.31) HDAC3HDAC4HDAC7HDAC8HDAC6
Hydrochloric Acid SCHEMBL2036834 0.68 KMT2A (0.42) MAPTALOX15HTTHDAC3HDAC4
Hydrochloric Acid SCHEMBL6902433 0.67 CYP19A1 (0.39) HDAC3HDAC4HDAC7HDAC8HDAC6
Hydrochloric Acid SCHEMBL6906419 0.67 ATM (0.34) HTR2ATSHRALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL29690727 0.67 CES2 (0.32) MAPTTSHRPOLBALDH1A1HSD17B10
SCHEMBL25255069 0.66 HDAC3 (0.47) MAPTALOX15HTTHBBHDAC3

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-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed