Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6888702

CC1=Cc2c(ccc3ccccc23)C1[Ti+2]1(C2C(C)=Cc3c2ccc2ccccc32)C2CCCCC21.[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 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.30
SLC6A3 known ✓ Q01959 2/20 0.30
KDM4E B2RXH2 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP2A6 P11509 2/20 0.32
SLC6A4 P31645 2/20 0.30
MAPT P10636 2/20 0.30
ALOX12 P18054 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ACP3 P15309 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 SCHEMBL6889737 0.87 HTR7 (0.33) KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6892819 0.83 KDM4E (0.40) KDM4EALDH1A1SLC6A4MAPTHPGD
Hydrochloric Acid SCHEMBL6895241 0.83 KDM4E (0.36) KDM4E
Hydrochloric Acid SCHEMBL6890714 0.83 KDM4E (0.36) KDM4E
Hydrochloric Acid SCHEMBL6891234 0.83 KDM4E (0.34) KDM4EALDH1A1MAPTCYP1A2HSD17B10
Hydrochloric Acid SCHEMBL6891379 0.82 HTR1A (0.36)
Hydrochloric Acid SCHEMBL6890426 0.82 KDM4E (0.34) KDM4EALDH1A1MAPTCYP1A2HPGD
Hydrochloric Acid SCHEMBL6891116 0.81 KDM4E (0.39) KDM4EALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL6893962 0.81 KDM4E (0.36) KDM4ETAS1R3TAS1R1TAS1R2ALDH1A1
Hydrochloric Acid SCHEMBL2531317 0.81 KDM4E (0.36) KDM4ETAS1R3TAS1R1TAS1R2ALDH1A1

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.