Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6891248

COc1ccc(-c2cccc3c2C=C(C)C3[Hf+2]2(C3C(C)=Cc4c(-c5ccc(OC)cc5)cccc43)CCC2)cc1.[Cl-].[Cl-]

nearest known ligand 0.35

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
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
PTPN1 P18031 1/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
RAB9A P51151 2/20 0.32

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 SCHEMBL6889654 0.95 ABL1 (0.37) ABL1ABCB1BCRSYKAURKB
Hydrochloric Acid SCHEMBL6892351 0.87 NPC1 (0.32) RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL6891676 0.86 CHRNB2 (0.32)
Hydrochloric Acid SCHEMBL6892073 0.85 ABL1 (0.33) ABL1ABCB1BCRSYKAURKB
Hydrochloric Acid SCHEMBL6895109 0.85 ABL1 (0.33) ABL1ABCB1BCRSYKAURKB
Hydrochloric Acid SCHEMBL6888560 0.85 SYK (0.34) ABL1ABCB1BCRSYKAURKB
Hydrochloric Acid SCHEMBL6886493 0.84 CYP3A4 (0.33) ABL1ABCB1BCRSYKAURKB
Hydrochloric Acid SCHEMBL6889161 0.83 CYP3A4 (0.34) ABL1ABCB1BCRSYKAURKB
Hydrochloric Acid SCHEMBL6892677 0.83 EDNRB (0.32) EDNRBEDNRA
Hydrochloric Acid SCHEMBL6889333 0.83 BRD4 (0.33)

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 ABL1 1/4885ABCB1 1728/4885BCR 815/4885

“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.