Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6889225

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr+2]1(C2C(C)=Cc3c(-c4ccccc4)cccc32)C2CCCCC21.[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
HTR2B P41595 3/20 0.33
TMEM97 Q5BJF2 3/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
PTGS2 P35354 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
GAA P10253 1/20 0.31
BRD4 O60885 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK4 Q16654 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 SCHEMBL6893593 0.91 PTGS2 (0.32) PTGS2
Hydrochloric Acid SCHEMBL6884642 0.86 BRD4 (0.32) BRD4
Hydrochloric Acid SCHEMBL6892211 0.86 EDNRB (0.32)
Hydrochloric Acid SCHEMBL6893291 0.86 CYP3A4 (0.35) HTR1AHTR7ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6891459 0.86 BRD4 (0.32) BRD4ALDH1A1LMNASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL6891514 0.85 GABBR2 (0.36) SIGMAR1PTGS2CYP11B2
Hydrochloric Acid SCHEMBL6890196 0.84 NISCH (0.30)
Hydrochloric Acid SCHEMBL6889960 0.83 HTR7 (0.33) HTR1AHTR7BRD4
Hydrochloric Acid SCHEMBL6888391 0.83 HTR1A (0.32) HTR2BTMEM97HTR1AHTR7SIGMAR1
Hydrochloric Acid SCHEMBL6889790 0.83 HTR1A (0.32) HTR2BTMEM97HTR1AHTR7SIGMAR1

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-6784305-B2 DERIVATIVES OF ZIRCONOCENE DICHLORIDE IN WHICH THE TWO SUBSTITUTED INDENYL GROUPS ARE JOINED TO ONE ANOTHER VIA A BRIDGE CAN, OWING TO THEIR CONFORMATIONAL RIGIDITY, BE USED AS CATALYSTS FOR THE STEREOSPECIFIC POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-08-31 US disclosed
US-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds EQUISTAR CHEMICALS, LP 2003-10-23 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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 HTR2B 2827/4885TMEM97 3758/4885HTR1A 3130/4885

“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.