Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3215746

CN(C)CC1=CCC(c2ccccc2[Ti+2]OC(c2ccccc2)c2ccccc2)=C1.[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
CHRM2 known ✓ P08172 3/20 0.33
CHRM1 known ✓ P11229 3/20 0.33
CHRM3 known ✓ P20309 3/20 0.33
SLC6A2 known ✓ P23975 2/20 0.33
SLC6A3 known ✓ Q01959 2/20 0.33
LMNA P02545 3/20 0.33
CYP2D6 P10635 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
HRH2 P25021 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
ADRA1A P35348 2/20 0.33
HRH1 P35367 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
HTR2B P41595 2/20 0.33

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 SCHEMBL3199505 0.83 KDM4E (0.31) KDM4E
Hydrochloric Acid SCHEMBL3213181 0.81 ALDH1A1 (0.33) TSHR
Hydrochloric Acid SCHEMBL3211033 0.80 CHRM2 (0.30) CYP2D6CHRM2CHRM1ADRA2ASLC6A2
SCHEMBL3859734 0.74 HTR2A (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3207533 0.74 MEN1 (0.41) SLC6A2HTR2ASLC6A4HRH1SLC6A3
Hydrochloric Acid SCHEMBL3209498 0.71 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL3213397 0.70 BACE1 (0.33) CYP2D6SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL3843195 0.70 ALDH1A1 (0.36) LMNACYP2D6ADRA2AADRA2BHTR2A
SCHEMBL3201663 0.70 SLC6A4 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3843815 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 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 (2 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-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 CHRM2 517/4885CHRM1 99/4885CHRM3 1354/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 CHRM2 517/4885CHRM1 99/4885CHRM3 1354/4885

“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.