Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6892826

CCCC1=Cc2c(ccc3ccccc23)C1[Ti+2]1(C2C(CCC)=Cc3c2ccc2ccccc32)CC1.[Cl-].[Cl-]

nearest known ligand 0.39

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 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
KDM4E B2RXH2 2/20 0.39
SLC6A4 P31645 5/20 0.34
DRD2 P14416 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 1/20 0.31
HPRT1 P00492 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 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 SCHEMBL6886281 0.95 KDM4E (0.38) KDM4ESLC6A4DRD2ALDH1A1ATM
Hydrochloric Acid SCHEMBL6884516 0.92 KDM4E (0.38) KDM4ESLC6A4DRD2ALDH1A1CNR1
Hydrochloric Acid SCHEMBL6886360 0.89 KDM4E (0.41) KDM4ESLC6A4DRD2ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL6892067 0.88 KDM4E (0.37) KDM4ESLC6A4DRD2ALDH1A1CNR1
Hydrochloric Acid SCHEMBL6889771 0.88 SLC6A4 (0.34) KDM4ESLC6A4DRD2HTR1AHTR7
Hydrochloric Acid SCHEMBL6891252 0.84 KDM4E (0.39) KDM4ESLC6A4DRD2ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL6894606 0.83 SLC6A4 (0.33) SLC6A4DRD2HTR7CNR1SLC6A2
Hydrochloric Acid SCHEMBL6892343 0.83 KDM4E (0.36) KDM4ESLC6A4ALDH1A1CNR1CNR2
Hydrochloric Acid SCHEMBL6891116 0.83 KDM4E (0.39) KDM4ESLC6A4DRD2ALDH1A1CNR1
Hydrochloric Acid SCHEMBL6891102 0.82 HTR1A (0.33) SLC6A4DRD2HTR1AHTR7

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 SLC6A2 2028/4885SLC6A3 1338/4885KDM4E 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.