Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6884516

CCCCC1=Cc2c(ccc3ccccc23)C1[Ti+2]1(C2C(CCCC)=Cc3c2ccc2ccccc32)CC1.[Cl-].[Cl-]

nearest known ligand 0.38

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
KDM4E B2RXH2 2/20 0.38
SLC6A4 P31645 2/20 0.33
DRD2 P14416 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.32
CNR1 P21554 2/20 0.32
NCEH1 Q6PIU2 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
DPP4 P27487 1/20 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 SCHEMBL6892067 0.95 KDM4E (0.37) KDM4ESLC6A4DRD2GAATDP1
Hydrochloric Acid SCHEMBL6892826 0.92 KDM4E (0.39) KDM4ESLC6A4DRD2CNR1ALDH1A1
Hydrochloric Acid SCHEMBL6886216 0.88 CNR1 (0.34) SLC6A4DRD2BCHECNR1DPP4
Hydrochloric Acid SCHEMBL6886281 0.88 KDM4E (0.38) KDM4ESLC6A4DRD2GAABCHE
Hydrochloric Acid SCHEMBL6886360 0.87 KDM4E (0.41) KDM4ESLC6A4DRD2GAAALDH1A1
Hydrochloric Acid SCHEMBL6890288 0.84 CNR1 (0.33) SLC6A4DRD2BCHECNR1
Hydrochloric Acid SCHEMBL6885792 0.83 KDM4E (0.38) KDM4ESLC6A4DRD2GAATDP1
Hydrochloric Acid SCHEMBL6892344 0.83 HTR1A (0.32) CNR1
Hydrochloric Acid SCHEMBL6891252 0.82 KDM4E (0.39) KDM4ESLC6A4DRD2GAAALDH1A1
Hydrochloric Acid SCHEMBL6892343 0.81 KDM4E (0.36) KDM4ESLC6A4CNR1ALDH1A1

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 KDM4E 2918/4885SLC6A4 1973/4885DRD2 1104/4885

“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.