Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5600537

C1=C(n2cnnn2)C([Ti+2]C2C(n3cnnn3)=Cc3ccccc32)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.42

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 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.42
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNJ1 P48048 2/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.33
F2 P00734 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 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
Hydrochloric Acid SCHEMBL6064749 0.82 NOTUM (0.42) NOTUMALDH1A1NPSR1KCNJ1KMT2A
Hydrochloric Acid SCHEMBL5603671 0.81 NOTUM (0.41) NOTUMALDH1A1NPSR1KCNJ1KMT2A
Hydrochloric Acid SCHEMBL5602869 0.81 NOTUM (0.41) NOTUMALDH1A1NPSR1KCNJ1KMT2A
Hydrochloric Acid SCHEMBL5603899 0.80 NOTUM (0.32) NOTUM
Hydrochloric Acid SCHEMBL5600625 0.80
SCHEMBL6064751 0.79 NOTUM (0.40) NOTUMALDH1A1NPSR1KCNJ1KMT2A
Hydrochloric Acid SCHEMBL5603256 0.79 NOTUM (0.31) NOTUM
SCHEMBL5602875 0.77 NOTUM (0.40) NOTUMALDH1A1NPSR1KCNJ1KMT2A
SCHEMBL5603675 0.77 NOTUM (0.40) NOTUMALDH1A1NPSR1KCNJ1KMT2A
SCHEMBL5600543 0.77 NOTUM (0.40) NOTUMALDH1A1NPSR1KCNJ1KMT2A

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-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed