Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7934065

CC(=O)C1([Ti+3])CN(C)CCNCCN(C)CCN1C.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.32

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 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PHGDH O43175 1/20 0.30
NPSR1 Q6W5P4 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 SCHEMBL7932293 0.86 CYP1A2 (0.33) CYP1A2TDP1NPSR1
Hydrochloric Acid SCHEMBL7925624 0.75 PHGDH (0.31) PHGDH
Hydrochloric Acid SCHEMBL7938288 0.73 PHGDH (0.30) PHGDH
Hydrochloric Acid SCHEMBL7935022 0.73 CYP1A2 (0.31) CYP1A2
Hydrochloric Acid SCHEMBL7932069 0.73
Hydrochloric Acid SCHEMBL7934340 0.71
Hydrochloric Acid SCHEMBL7935013 0.71 CYP1A2 (0.32) CYP1A2TDP1
Hydrochloric Acid SCHEMBL7936344 0.70
Methylpiperazine SCHEMBL1681596 0.69 CYP1A2 (0.44) CYP1A2TDP1PHGDHNPSR1
Methylpiperazine SCHEMBL28060474 0.67 CYP1A2 (0.42) CYP1A2TDP1PHGDHNPSR1

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