Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14352196

CCCCc1ccc([Si](C2=C(Cc3ccccc3)C([Ti+3])=CC2)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.43

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 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.38
HSD11B1 P28845 2/20 0.36
NISCH Q9Y2I1 1/20 0.33
MAPT P10636 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
KCNH2 Q12809 1/20 0.32
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTR2A P28223 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 SCHEMBL10319119 0.87 NISCH (0.37) HTR1DHSD11B1NISCHMAPTALDH1A1
Hydrochloric Acid SCHEMBL10317943 0.86 NISCH (0.36) HTR1DHSD11B1NISCHMAPTALDH1A1
Hydrochloric Acid SCHEMBL10318863 0.86 NISCH (0.36) HTR1DHSD11B1NISCHMAPTALDH1A1
Hydrochloric Acid SCHEMBL10317855 0.85 KCNH2 (0.35) KCNH2CNR2L3MBTL1TDP1HTR2A
Hydrochloric Acid SCHEMBL10318986 0.85 CALM1 (0.33)
SCHEMBL10317563 0.84 HSD11B1 (0.36) HTR1DHSD11B1MAPTORAI1ORAI2
Hydrochloric Acid SCHEMBL10319339 0.83 BCHE (0.34) HSD11B1
Hydrochloric Acid SCHEMBL10318657 0.83 HTR1D (0.38) HTR1DHSD11B1NISCHMAPTORAI1
Hydrochloric Acid SCHEMBL10320158 0.82 HSD11B1 (0.42) HTR1DHSD11B1NISCHMAPTORAI1
Hydrochloric Acid SCHEMBL10319713 0.80 NISCH (0.37) HTR1DHSD11B1NISCHMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-8470947-B2 Ethylenic polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-25 US disclosed
US-20130005931-A1 ETHYLENIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 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 (3 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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 HTR1D 116/4885HSD11B1 415/4885NISCH 2091/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 HTR1D 825/4885HSD11B1 751/4885NISCH 3376/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 HTR1D 815/4885HSD11B1 477/4885NISCH 2856/4885

“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.