Hydrochloric Acid

Hydrochloric Acid

SCHEMBL713862

Cc1cc2c(-c3ccccc3)ccccc-2c1[Ti+2](c1c(C)cc2c(-c3ccccc3)ccccc1-2)=[Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.36

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
ESR2 Q92731 1/20 0.36
CYP2A6 P11509 2/20 0.34
CYP2B6 P20813 1/20 0.34
PTGS2 P35354 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
BACE1 P56817 1/20 0.31
MCOLN3 Q8TDD5 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 6/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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 SCHEMBL714599 0.79 ESR2 (0.38) ESR2CYP2A6CYP2B6PTGS2PDCD1
Hydrochloric Acid SCHEMBL3275465 0.70 ESR2 (0.36) ESR2CYP2A6CYP2B6PTGS2PDCD1
Hydrochloric Acid SCHEMBL27629774 0.69 ESR2 (0.41) ESR2CYP2A6CYP2B6PTGS2PDCD1
Hydrochloric Acid SCHEMBL4444061 0.68 ESR2 (0.40) ESR2CYP2A6CYP2B6PTGS2PDCD1
Hydrochloric Acid SCHEMBL20485163 0.67 ESR2 (0.36) ESR2CYP2A6CYP2B6PTGS2PDCD1
SCHEMBL4830408 0.66 ESR2 (0.60) ESR2CYP2A6CYP2B6PDCD1CD274
SCHEMBL20550243 0.66 ESR2 (0.61) ESR2CYP2A6CYP2B6PTGS2BACE1
SCHEMBL1476609 0.66 ALDH1A1 (0.58) CYP2A6PTGS2PDCD1CD274BACE1
Hydrogen Sulfide SCHEMBL31005155 0.66 ALDH1A1 (0.58) CYP2A6PTGS2PDCD1CD274BACE1
Hydrogen Sulfide SCHEMBL27593443 0.66 ALDH1A1 (0.58) CYP2A6PTGS2PDCD1CD274BACE1

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 ESR2 4613/4885CYP2A6 1013/4885CYP2B6 939/4885

“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.