Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5514218

CCC1=Cc2c(ccc3ccccc23)C1[Zr+2](C)(C)(=[SiH2])C1C(CC)=Cc2c1ccc1ccccc21.[Cl-].[Cl-]

nearest known ligand 0.38

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 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SLC6A4 P31645 2/20 0.30
DRD2 P14416 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 SCHEMBL5512095 0.81 KDM4E (0.35) KDM4EALDH1A1ATMSLC6A4
Hydrochloric Acid SCHEMBL5518571 0.77
Hydrochloric Acid SCHEMBL7196605 0.77 KDM4E (0.41) KDM4EALDH1A1HTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL3918950 0.75 KDM4E (0.40) KDM4EALDH1A1ATMHTR1AHTR7
Hydrochloric Acid SCHEMBL5515714 0.73 CYP11B1 (0.31)
Hydrochloric Acid SCHEMBL6890919 0.72 KDM4E (0.41) KDM4EALDH1A1HTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL6886360 0.72 KDM4E (0.41) KDM4EALDH1A1HTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL6889779 0.72 KDM4E (0.41) KDM4EALDH1A1HTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL7935816 0.71 KDM4E (0.40) KDM4EALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL5613031 0.71 KDM4E (0.40) KDM4EALDH1A1SLC6A4

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed