Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4658126

CC(C)C1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr+2](C1C(C(C)C)=Cc2c(-c3cccc4ccccc34)cccc21)=[Si](C)C.[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 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.31
PTPN1 P18031 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
KDM1A O60341 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 SCHEMBL31571612 1.00 NPC1 (0.32) NPC1MAPTRAB9ASMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL4657983 0.90 ALDH1A1 (0.32)
Hydrochloric Acid SCHEMBL7185530 0.89 SLC6A4 (0.30)
Hydrochloric Acid SCHEMBL7617009 0.88
Hydrochloric Acid SCHEMBL7926973 0.87 KDM4E (0.35)
Hydrochloric Acid SCHEMBL4659218 0.87 HTR1A (0.32)
Hydrochloric Acid SCHEMBL31571615 0.85
Hydrochloric Acid SCHEMBL31571589 0.85
Hydrochloric Acid SCHEMBL31425740 0.84
Hydrochloric Acid SCHEMBL1009752 0.84 KDM4E (0.32) MAPTPTPN1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088836-B1 ETHYLENE/ALPHA-OLEFIN/UNCONJUGATED POLYENE COPOLYMER RUBBER, RUBBER COMPOSITION FOR SEALING, MOLDED RUBBER FOR SEALING, AND PROCESS FOR PRODUCING THE MOLDED RUBBER PART MITSUI CHEMICALS INC (JP) 2012-11-21 EP disclosed
EP-1640415-B1 Olefinic thermoplastic elastomer composition and method for producing the same MITSUI CHEMICALS INC (JP) 2008-12-17 EP disclosed
EP-1065241-B1 Olefinic thermoplastic elastomer composition and method for producing the same MITSUI CHEMICALS INC (JP) 2006-04-05 EP disclosed
EP-1640415-A2 Olefinic thermoplastic elastomer composition and method for producing the same MITSUI CHEMICALS, INC. (JP) 2006-03-29 EP disclosed
US-6635727-B1 Random copolymer comprising structural units derived from comonomers of ethylene, one or more alpha-olefins, one or more trienes, and one or more non-conjugated polyenes in specified amounts and having specified intrinsic viscosity MITSUI CHEMICALS, INC. (JP) 2003-10-21 US disclosed
US-6635705-B2 Crosslinked crystalline polyolefin resin, an ethylene-alpha-olefin-non-conjugated polyene copolymer rubber, and polyisobutylene, butyl rubber or a propylene-ethylene copolymer MITSUI CHEMICALS, INC. (JP) 2003-10-21 US disclosed
US-6410650-B1 MOLDING MATERIALS MITSUI CHEMICALS INC (JP) 2002-06-25 US disclosed
US-20020055591-A1 Olefinic thermoplastic elastomer composition and method for producing the same MITSUI CHEMICALS, INC. 2002-05-09 US disclosed
EP-1065241-A2 Olefinic thermoplastic elastomer composition and method for producing the same Mitsui Chemicals, Inc. (JP) 2001-01-03 EP disclosed