Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7932348

CC(=O)C1CNCCN1[Ti+2].[Cl-].[Cl-]

nearest known ligand 0.31

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 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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 SCHEMBL7938101 0.88 CYP1A2 (0.33)
Hydrochloric Acid SCHEMBL7935017 0.88 CYP1A2 (0.33)
Hydrochloric Acid SCHEMBL7925680 0.77 CHRNB2 (0.31) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL12108456 0.76 TSHR (0.33) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL3449345 0.76 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL6989956 0.76 KDM4E (0.32)
SCHEMBL7527236 0.74 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL27497313 0.74 CHRNB2 (0.31) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
Hydrochloric Acid SCHEMBL7936224 0.74 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL7938238 0.73 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-6169152-B1 COPOLYMER OF ETHYLENE AND A POLAR GROUP-CONTAINING CYCLIC OLEFIN COMPRISING ESTER- OR ANHYDRIDE MODIFIED NORBORNENE OR PERHYDRO-2,3-DIDEHYDRO-1,4:5,8-DIMETHANONAPHTHALENE MADE WITH CATALYST SUCH AS 1,5,9-TRIAZACYCLODODECANYLTITANIUM CHLORIDE JSR CORPORATION (JP) 2001-01-02 US disclosed
EP-0816387-A1 Olefin-polymerizing catalyst JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-01-07 EP disclosed