Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6338948

CCCCOc1ccccc1SC1=C([Ti+2])CC=C1.[Cl-].[Cl-]

nearest known ligand 0.40

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
CHRM2 known ✓ P08172 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP19A1 P11511 1/20 0.36
SLC6A9 P48067 6/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
PTGS2 P35354 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32

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 SCHEMBL6330356 0.94 SLC6A9 (0.36) CYP1A2CYP2C19CYP2C9SLC6A9L3MBTL1
Hydrochloric Acid SCHEMBL6337576 0.89 ALDH1A1 (0.37) CYP1A2CYP2C19SLC6A9L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6330268 0.77
Hydrochloric Acid SCHEMBL6332931 0.77
Hydrochloric Acid SCHEMBL6332233 0.77 NISCH (0.33) ALDH1A1ADRA2A
Hydrochloric Acid SCHEMBL6333016 0.75 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1
Hydrochloric Acid SCHEMBL6336981 0.75 CYP1A2 (0.43) CYP1A2CYP2C19CYP2C9CYP19A1CYSLTR2
Hydrochloric Acid SCHEMBL6332613 0.71 CYP1A2 (0.39) CYP1A2CYP2C19CYP2C9CYP19A1L3MBTL1
Hydrochloric Acid SCHEMBL6334417 0.71 CYP1A2 (0.40) CYP1A2CYP2C19CYP2C9CYP19A1CYSLTR2
SCHEMBL945685 0.70 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9CYP19A1PTGS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6870017-B2 Transition metal compound, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-22 US disclosed
US-20030171212-A1 Transition metal compound, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 US disclosed
US-6548686-B2 Coordination catalysts; suppresses heat generation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed
US-20020013433-A1 Transition metal compound, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-31 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-20020013433-A1 Transition metal compound, catalyst for addition polymerization, and process for producing addition polymer ASH2L, ARL1, AS3MT CHRM2 3776/4885SLC6A3 3943/4885CYP1A2 3606/4885

“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.