Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6891682

C1=C(C2CCCC2)C([Zr+2]2(C3C(C4CCCC4)=Cc4c(-c5cccc6ccccc56)cccc43)CC2)c2cccc(-c3cccc4ccccc34)c21.[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
SLC6A3 known ✓ Q01959 1/20 0.30
MTNR1A P48039 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP2 O95551 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 2/20 0.31

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 SCHEMBL6888596 0.99 MTNR1A (0.32) MTNR1AKDM4ETDP2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6886284 0.96 MTNR1A (0.32) MTNR1AKDM4ETDP2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6889722 0.95 MTNR1A (0.31) MTNR1AKDM4ETDP2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6889769 0.87 KDM4E (0.33) MTNR1AKDM4EALDH1A1L3MBTL1KDM1A
Hydrochloric Acid SCHEMBL6894013 0.87 CES1 (0.35) ALDH1A1HPGDMAPK1L3MBTL1HTR1A
Hydrochloric Acid SCHEMBL6891580 0.86 MTNR1A (0.32) MTNR1AKDM4ETDP2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6889597 0.86 CES1 (0.34) ALDH1A1HPGDHTR1AHTR7
Hydrochloric Acid SCHEMBL6888409 0.86 CYP1B1 (0.35) MTNR1AKDM4EALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL6886232 0.85 MTNR1A (0.31) MTNR1AKDM4ETDP2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6893098 0.83 CES1 (0.34) HTR1AHTR7

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 1338/4885MTNR1A 4266/4885KDM4E 2918/4885

“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.