Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6891796

CC(C)C1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr+2]1(C2C(C(C)C)=Cc3c(-c4cccc5ccccc45)cccc32)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 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 1/20 0.30
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
ALOX5 P09917 1/20 0.32
PTPN1 P18031 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
KDM1A O60341 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
DRD2 P14416 1/20 0.30
SLC6A4 P31645 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 SCHEMBL6884761 0.95 NPC1 (0.33) NPC1MAPTRAB9ASMN1; SMN2HTR7
Hydrochloric Acid SCHEMBL5951958 0.88 NPC1 (0.34) NPC1MAPTRAB9ASMN1; SMN2HTR7
Hydrochloric Acid SCHEMBL6886402 0.87 KDM4E (0.36) KDM1ADRD2SLC6A4
Hydrochloric Acid SCHEMBL6893742 0.87 HTR1A (0.37) HTR7HTR1A
Hydrochloric Acid SCHEMBL6886255 0.84 NPC1 (0.33) NPC1MAPTRAB9ASMN1; SMN2HTR7
Hydrochloric Acid SCHEMBL1031761 0.83 NPC1 (0.32) NPC1MAPTRAB9ASMN1; SMN2HTR7
Hydrochloric Acid SCHEMBL5951783 0.83 HTR7 (0.35) NPC1MAPTRAB9ASMN1; SMN2HTR7
Hydrochloric Acid SCHEMBL6893601 0.83 CHRNB2 (0.31) HTR7HTR1ANISCH
Hydrochloric Acid SCHEMBL6891304 0.82 HTR1A (0.35) HTR7HTR1A
Hydrochloric Acid SCHEMBL6895207 0.82 KDM4E (0.34) SLC6A4SLC6A3

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 SLC6A3 1338/4885NPC1 2185/4885MAPT 2324/4885

“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.