Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1032783

CC1=Cc2c(-c3cccc4ccccc34)c(C)c(C)c(C)c2C1[Zr+2]1(C2C(C)=Cc3c(-c4cccc5ccccc45)c(C)c(C)c(C)c32)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 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
KDM4E B2RXH2 3/20 0.31
HTR7 P34969 3/20 0.30
HTR1A P08908 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
FPR1 P21462 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
NISCH Q9Y2I1 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 SCHEMBL1033766 0.89 KDM4E (0.35) DHFRKDM4EHTR7
Hydrochloric Acid SCHEMBL1032071 0.89 NPC1 (0.32) DHFRSMN1; SMN2
Hydrochloric Acid SCHEMBL1034037 0.87 NISCH (0.32) NISCH
Hydrochloric Acid SCHEMBL1032635 0.85 CNR1 (0.32) KDM4EHTR7
Hydrochloric Acid SCHEMBL1034492 0.85
Hydrochloric Acid SCHEMBL1032351 0.84 DHFR (0.33) DHFRGABRA1GABRG2GABRB3KDM4E
Hydrochloric Acid SCHEMBL1030887 0.82 CA12 (0.34) HTR7HTR1ACYP1A2
Hydrochloric Acid SCHEMBL1030029 0.79
Hydrochloric Acid SCHEMBL1031880 0.79 HPGD (0.30)
Hydrochloric Acid SCHEMBL1032785 0.79 HTR7 (0.33) HTR7HTR1ACYP1A2NISCH

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 DHFR 3607/4885GABRA1 1072/4885GABRG2 1851/4885

“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.