Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6907014

CC1=Cc2cc(-c3ccccc3)ccc2C1[Ti+2](=C(C)C)C1C(C)=Cc2cc(-c3ccccc3)ccc21.[Cl-].[Cl-]

nearest known ligand 0.33

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
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC1 Q13547 2/20 0.31
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
GFER P55789 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
EDNRB P24530 2/20 0.30
EDNRA P25101 2/20 0.30
HSD17B1 P14061 2/20 0.30
HSD17B2 P37059 2/20 0.30
MGLL Q99685 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
CYP3A4 P08684 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 SCHEMBL6905950 0.86 KMO (0.34) ALOX5MAPTTDP1
Hydrochloric Acid SCHEMBL820362 0.80 ALDH1A1 (0.32) SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL820471 0.74 PDCD1 (0.34)
Hydrochloric Acid SCHEMBL4092756 0.74 MAOA (0.33) KDM1AKDM1BALOX5MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4059545 0.74 MAOA (0.33) KDM1AKDM1BALOX5MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4094393 0.74 MAOA (0.33) KDM1AKDM1BALOX5MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL18112870 0.73 ESR1 (0.33) KDM1AKDM1BALOX5MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL27505811 0.73 MAOA (0.32) KDM1AKDM1BALOX5MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5606827 0.72 KDM4E (0.31) KDM1AKDM1BSMN1; SMN2KDM4EEDNRB
SCHEMBL27479178 0.72 MAOA (0.34) KDM1AKDM1BALOX5MAPTEDNRB

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