Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6893962

CC1=Cc2c(ccc3ccccc23)C1[Ti+2]1(C2C(C)=Cc3c2ccc2ccccc32)CCC1.[Cl-].[Cl-]

nearest known ligand 0.36

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
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 5/20 0.33
CYP2A6 P11509 4/20 0.33
CYP1A2 P05177 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 3/20 0.32
ALOX12 P18054 1/20 0.32
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
PKM P14618 1/20 0.31
KDM1A O60341 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
MTNR1A P48039 1/20 0.30
SLC6A4 P31645 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 SCHEMBL2531317 0.97 KDM4E (0.36) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL820012 0.94 KDM4E (0.38) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL6892592 0.87 HTR1A (0.32) ALDH1A1CYP2A6MAPTKDM1AMTNR1A
Hydrochloric Acid SCHEMBL6891551 0.82 KDM4E (0.34) KDM4E
Hydrochloric Acid SCHEMBL6891252 0.82 KDM4E (0.39) KDM4EALDH1A1MAPTHPGDGAA
Hydrochloric Acid SCHEMBL6895051 0.82 KDM4E (0.34) KDM4ESLC6A4
Hydrochloric Acid SCHEMBL6891975 0.81 HTR1A (0.35)
Hydrochloric Acid SCHEMBL2535806 0.81 HTR1A (0.33) KDM4EALDH1A1CYP2A6MAPTALOX12
Hydrochloric Acid SCHEMBL6888702 0.81 KDM4E (0.38) KDM4EALDH1A1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL6886281 0.80 KDM4E (0.38) KDM4EALDH1A1MAPTHPGDGAA

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 2918/4885ALDH1A1 1825/4885CYP2A6 477/4885

“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.