Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6892592

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Ti+2]1(C2C(C)=Cc3c(-c4cccc5ccccc45)cccc32)CCC1.[Cl-].[Cl-]

nearest known ligand 0.32

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
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
NISCH Q9Y2I1 1/20 0.31
KDM1A O60341 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
BRD4 O60885 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A4 P31645 2/20 0.30
CYP2D6 P10635 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30
MTNR1A P48039 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 SCHEMBL2535806 0.95 HTR1A (0.33) HTR1AHTR7NISCHKDM1ACA12
Hydrochloric Acid SCHEMBL6893962 0.87 KDM4E (0.36) KDM1AMAPTSLC6A4ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL6891975 0.86 HTR1A (0.35) HTR1AHTR7NISCH
Hydrochloric Acid SCHEMBL6890391 0.84 SLC22A12 (0.30) HTR1AHTR7
Hydrochloric Acid SCHEMBL6890489 0.84 NPC1 (0.33) HTR1AHTR7NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL6886659 0.84 HTR7 (0.32) HTR1AHTR7SLC6A4CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL2531317 0.84 KDM4E (0.36) KDM1AMAPTSLC6A4ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL6892840 0.83 CHRNB2 (0.32) BRD4
Hydrochloric Acid SCHEMBL6889737 0.82 HTR7 (0.33) HTR1AHTR7NISCHKDM1ACA12
Hydrochloric Acid SCHEMBL6894606 0.82 SLC6A4 (0.33) HTR7SLC6A4CYP2D6SLC6A2SLC6A3

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 1338/4885HTR1A 3130/4885

“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.