Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904461

CC1=Cc2cc(C)ccc2C1[Ti+2](=C(c1ccccc1)c1ccccc1)C1C(C)=Cc2cc(C)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 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.31
SLC6A3 known ✓ Q01959 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.33
TRPM5 Q9NZQ8 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SLC6A4 P31645 2/20 0.31
PDK2 Q15119 1/20 0.31
MEN1 O00255 1/20 0.30
KCNK3 O14649 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
TSHR P16473 1/20 0.30
KCNMA1 Q12791 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 SCHEMBL6904515 0.84 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3PDK2
Hydrochloric Acid SCHEMBL6910480 0.80
Hydrochloric Acid SCHEMBL6909993 0.74 SMN1; SMN2 (0.33) SMN1; SMN2RAB9APOLBLMNACES2
Hydrochloric Acid SCHEMBL6909569 0.72 PDCD1 (0.36)
Hydrochloric Acid SCHEMBL6907014 0.71 KDM1A (0.32) SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL6905914 0.68 MAPT (0.33) POLBLMNAMEN1KMT2ATSHR
SCHEMBL6904465 0.68 SMN1; SMN2 (0.35) SMN1; SMN2TRPM5NPC1RAB9APOLB
SCHEMBL5823074 0.67 GAA (0.44) SMN1; SMN2TRPM5SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL820362 0.67 ALDH1A1 (0.32) SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL2868525 0.66 LMNA (0.31) NPC1RAB9APOLBLMNA

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