Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6894306

CCc1ccc(-c2cccc3c2C=C(C2CCCCC2)C3[Zr+2]2(C3C(C4CCCCC4)=Cc4c(-c5ccc(CC)cc5)cccc43)C3CCCCC32)cc1.[Cl-].[Cl-]

nearest known ligand 0.34

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 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 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 SCHEMBL6891995 0.99 PTGS2 (0.33) PTGS2EDNRBEDNRA
Hydrochloric Acid SCHEMBL6891939 0.91 PTGS2 (0.33) PTGS2
Hydrochloric Acid SCHEMBL6888493 0.90 PTGS2 (0.32) PTGS2
Hydrochloric Acid SCHEMBL6890248 0.88 PTGS2 (0.35) PTGS2EDNRBEDNRAKDM4ENPC1
Hydrochloric Acid SCHEMBL6885603 0.87 PTGS2 (0.36) PTGS2NPC1RAB9A
Hydrochloric Acid SCHEMBL6889821 0.87 PTGS2 (0.34) PTGS2EDNRBEDNRAKDM4ENPC1
Hydrochloric Acid SCHEMBL6892027 0.86 PTGS2 (0.33) PTGS2EDNRBEDNRA
Hydrochloric Acid SCHEMBL6890701 0.86 PTGS2 (0.34) PTGS2NPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6892465 0.86 PTGS2 (0.36) PTGS2ALDH1A1
Hydrochloric Acid SCHEMBL6895035 0.85 PTGS2 (0.33) PTGS2EDNRBEDNRA

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 PTGS2 1334/4885EDNRB 1979/4885EDNRA 2071/4885

“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.