Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6892585

CC(C)C1=Cc2c(-c3ccccc3)cccc2C1[Hf+2]1(C2C(C(C)C)=Cc3c(-c4ccccc4)cccc32)C2CCCCC21.[Cl-].[Cl-]

nearest known ligand 0.32

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 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 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 SCHEMBL6895759 0.91 ADRA2A (0.30) ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL6891316 0.91 BRD4 (0.32)
Hydrochloric Acid SCHEMBL6895191 0.88 BRD4 (0.30)
Hydrochloric Acid SCHEMBL6890253 0.88
Hydrochloric Acid SCHEMBL6893735 0.88 CYP3A4 (0.33) CYP3A4CYP2C9HTR1AHTR7
Hydrochloric Acid SCHEMBL6895674 0.87 GABBR2 (0.32)
Hydrochloric Acid SCHEMBL6886473 0.86
Hydrochloric Acid SCHEMBL6891536 0.85 NPC1 (0.34) HTR1AHTR7
Hydrochloric Acid SCHEMBL6893737 0.84
Hydrochloric Acid SCHEMBL6891259 0.84 HTR2B (0.32) HTR1AHTR7HTR2BTMEM97SIGMAR1

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 ALDH1A1 1825/4885CYP3A4 107/4885CYP2D6 604/4885

“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.