Hydrochloric Acid

Hydrochloric Acid

SCHEMBL714598

CC1CC2C(=CC=CCC2c2ccccc2)C1[Ti+2]1(C2C3=CC=CCC(c4ccccc4)C3CC2C)CC1.[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
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
MAOB P27338 11/20 0.33
MAOA P21397 10/20 0.33
NISCH Q9Y2I1 5/20 0.33
HDAC4 P56524 1/20 0.31
KDM1A O60341 5/20 0.31
CYP2C19 P33261 4/20 0.31
CYP2B6 P20813 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
LMNA P02545 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
HTR2C P28335 2/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADRA1A P35348 1/20 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 SCHEMBL8736914 0.81 MAOB (0.34) MAOBMAOANISCHKDM1ACYP2C19
Hydrochloric Acid SCHEMBL6683098 0.78 MAOB (0.35) MAOBMAOANISCHKDM1ACYP2C19
Hydrochloric Acid SCHEMBL8166710 0.77 MAOA (0.32) MAOBMAOANISCHKDM1ACYP2C19
Hydrochloric Acid SCHEMBL714104 0.76 NISCH (0.31) MAOBMAOANISCH
Hydrochloric Acid SCHEMBL8160547 0.76 NISCH (0.31) MAOBMAOANISCH
Hydrochloric Acid SCHEMBL8160548 0.74 MAOB (0.32) MAOBMAOAKDM1ALMNATAAR1
Hydrochloric Acid SCHEMBL714105 0.74 MAOB (0.32) MAOBMAOAKDM1ALMNATAAR1
Hydrochloric Acid SCHEMBL8039642 0.73 HDAC4 (0.32) MAOBMAOAHDAC4KDM1ALMNA
SCHEMBL714816 0.66 MAOB (0.34) MAOBMAOAHDAC4KDM1ACYP2C19
SCHEMBL28230795 0.64 MAOB (0.52) MAOBMAOAHDAC4KDM1ACYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357765-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-22 US disclosed
US-8288490-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120053311-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION PPOX, SOD1, AP1M1 SLC6A2 4737/4885SLC6A3 4539/4885MAOB 397/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.