Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3681645

CC(C)(O[Ti+2])c1c(-c2cccc3c2Cc2ccccc2-3)ccc2ccccc12.[Cl-].[Cl-]

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 17)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.32
PNMT P11086 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
BCHE P06276 1/20 0.32
PGR P06401 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3681647 0.83 PNMT (0.33) PNMTRAB9ANPC1HTR7HTR1A
Hydrochloric Acid SCHEMBL3685726 0.77 PNMT (0.41) PNMTRAB9ANPC1HTR7CA1
SCHEMBL27591259 0.77 RAB9A (0.36) PNMTRAB9ANPC1HTR7HTR1A
Hydrochloric Acid SCHEMBL6654527 0.75 PNMT (0.35) PNMTRAB9ANPC1HTR7HTR1A
Hydrochloric Acid SCHEMBL3675879 0.74 PNMT (0.39) PNMTRAB9ANPC1HTR7HTR1A
SCHEMBL3676091 0.74 NPC1 (0.40) PNMTRAB9ANPC1HTR7HTR1A
Hydrochloric Acid SCHEMBL3205782 0.73
SCHEMBL28753179 0.73 RAB9A (0.40) PNMTRAB9ANPC1HTR7HTR1A
Hydrochloric Acid SCHEMBL3676093 0.73 RAB9A (0.35) PNMTRAB9ANPC1HTR7HTR1A
Benzo(A)Fluorene SCHEMBL150250 0.73 CA1 (0.46) PNMTRAB9ANPC1HTR7HTR1A

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 1804/4885RAB9A 1759/4885
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 1804/4885RAB9A 1759/4885

“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.