Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1032785

CC1=Cc2c(-c3cccc4ccccc34)ccc(C)c2C1[Zr+2]1(C2C(C)=Cc3c(-c4cccc5ccccc45)ccc(C)c32)CC1.[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 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 1/20 0.30
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CYP2A6 P11509 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
BRD4 O60885 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 SCHEMBL1032989 0.88 HTR7 (0.33) HTR7HTR1ACA12CA1CA2
Hydrochloric Acid SCHEMBL1031761 0.88 NPC1 (0.32) HTR7HTR1ACA12CA1CA2
Hydrochloric Acid SCHEMBL1028615 0.86 NISCH (0.32) ALDH1A1CYP1A2NISCH
Hydrochloric Acid SCHEMBL1029995 0.85 HTR7 (0.31) HTR7
Hydrochloric Acid SCHEMBL1030887 0.85 CA12 (0.34) HTR7HTR1ACA12CA1CA2
Hydrochloric Acid SCHEMBL1034662 0.84 CNR1 (0.34) HTR7CNR1CNR2
Hydrochloric Acid SCHEMBL5951783 0.83 HTR7 (0.35) HTR7HTR1ACA12CA1CA2
Hydrochloric Acid SCHEMBL5070168 0.83
Hydrochloric Acid SCHEMBL1032351 0.83 DHFR (0.33) HTR7HTR1ACYP2A6ALDH1A1HRH3
Fluoride Ion SCHEMBL7640470 0.81 HTR7 (0.35) HTR7HTR1ACA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567560-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2011-01-19 EP disclosed
US-7405261-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2008-07-29 US disclosed
US-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASSELL POLYOLEFINE GMBH (DE) 2006-06-08 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-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins C1R, CBR3, CBR1 SLC6A3 1977/4885HTR7 1426/4885HTR1A 3552/4885

“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.