Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3759506

CC1=C(c2cccc3ccccc23)c2ccccc2[C@@H]1[Zr+2]([C@H]1C(C)=C(c2cccc3ccccc23)c2ccccc21)=[Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.33

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
KDM4E B2RXH2 3/20 0.33
KDM1A O60341 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP2A6 P11509 1/20 0.33
SLC6A4 P31645 3/20 0.32
DHFR P00374 1/20 0.32
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP2 O95551 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 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 SCHEMBL339001 1.00 KDM4E (0.33) KDM4EKDM1AMTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL7938957 0.87 KDM4E (0.33) KDM4EKDM1AMTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL3735013 0.86 KDM4E (0.32) KDM4EALDH1A1CYP2A6SLC6A4DHFR
Hydrochloric Acid SCHEMBL6056185 0.86 ALDH1A1 (0.31) ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL2114856 0.83 DHFR (0.36) KDM4EKDM1AMTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL7936151 0.83 NPC1 (0.33) KDM1AMTNR1AMTNR1BSLC6A4MAPT
Hydrochloric Acid SCHEMBL5604466 0.83 SLC6A4 (0.33) KDM1AMTNR1AMTNR1BALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL7926942 0.82 KDM4E (0.34) KDM4EMTNR1AMTNR1BALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL7211659 0.81 KDM4E (0.33) KDM4EKDM1AMTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL216963 0.81 KDM4E (0.33) KDM4EKDM1AMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299195-B2 Ethylene homopolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20100324243-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-23 US disclosed
US-20100311934-A1 ETHYLENE HOMOPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-09 US disclosed