Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3675879

[Cl-].[Cl-].[Ti+2]OCc1c(-c2cccc3c2Cc2ccccc2-3)ccc2ccccc12

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.33
PNMT P11086 1/20 0.39
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
BCHE P06276 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR7 P34969 4/20 0.32
HTR1A P08908 2/20 0.32
BACE1 P56817 1/20 0.31
HTR2B P41595 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3672084 0.81 PNMT (0.43) PNMTCA1CA2CA4CA6
Hydrochloric Acid SCHEMBL6676382 0.78 PNMT (0.36) PNMTCA1CA2CA4CA6
Hydrochloric Acid SCHEMBL3682161 0.77 PNMT (0.56) PNMTCA1CA2CA4CA6
Hydrochloric Acid SCHEMBL3750227 0.77 PNMT (0.35) PNMTCA1CA2CA4CA6
SCHEMBL3679016 0.75 ALDH1A1 (0.39) PNMTCA1CA2CA4CA6
Benzo(A)Fluorene SCHEMBL150250 0.75 CA1 (0.46) PNMTCA1CA2CA4CA6
Benzo(A)Fluorene SCHEMBL29432662 0.75 CA1 (0.46) PNMTCA1CA2CA4CA6
Benzo(A)Fluorene SCHEMBL29413802 0.75 CA1 (0.46) PNMTCA1CA2CA4CA6
Benzo(A)Fluorene SCHEMBL29620372 0.75 CA1 (0.46) PNMTCA1CA2CA4CA6
SCHEMBL6675750 0.75 PNMT (0.50) PNMTCA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 EP 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 (2 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-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 ACHE 4371/4885PNMT 1804/4885CA1 1751/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 ACHE 4371/4885PNMT 1804/4885CA1 1751/4885

“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.