Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5968682

C[Ti+2](C)(NC(=O)C1CCCCC1)C1C(c2cc[nH]c2)=Cc2ccccc21.[Cl-].[Cl-].[SiH4]

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 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 1/20 0.33
CYP2C19 P33261 1/20 0.32
OPRM1 P35372 2/20 0.32
P2RX7 Q99572 2/20 0.32
TNKS2 Q9H2K2 1/20 0.31
GRM4 Q14833 1/20 0.31
KMT2A Q03164 1/20 0.31
CETP P11597 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MTNR1A P48039 1/20 0.30
ADORA1 P30542 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
SCHEMBL7614575 0.77 SMN1; SMN2 (0.34) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL7753150 0.74 CYP2C19 (0.45) HPGDKDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL5969058 0.71 POLB (0.31) HPGD
SCHEMBL6856849 0.70
Hydrochloric Acid SCHEMBL7630764 0.69 CYP2C19 (0.40) HPGDKDM4EALDH1A1SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL7644423 0.65 ALDH1A1 (0.41) HPGDALDH1A1SMN1; SMN2CYP2C19KMT2A
SCHEMBL27844648 0.59 HPGD (0.60) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL7246995 0.58 SMN1; SMN2 (0.38) HPGDKDM4EALDH1A1SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL7241242 0.58 SMN1; SMN2 (0.38) HPGDKDM4EALDH1A1SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL7753199 0.58 CYP2C19 (0.45) HPGDKDM4EALDH1A1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259556-B1 IMPROVED DERIVATIVES OF SILANE FUNCTIONALIZED OLEFIN INTERPOLYMERS DOW GLOBAL TECHNOLOGIES INC (US) 2006-06-07 EP disclosed
EP-1054910-B1 IMPROVED OLEFIN POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-22 EP disclosed
US-6624254-B1 Uniform distrbution by coupling, hydrolysis, neutralization, condensation, oxidation or hydrosilation; films, sheets, moldings THE DOW CHEMICAL COMPANY 2003-09-23 US disclosed
EP-1259556-A2 IMPROVED SILANE FUNCTIONALIZED OLEFIN INTERPOLYMERS AND DERIVATIVES THEREOF THE DOW CHEMICAL COMPANY (US) 2002-11-27 EP disclosed
US-6258902-B1 USING A METAL COMPLEX CATALYST AND AN ALKENYL CONTAINING HYDROCARBYLSILANE THE DOW CHEMICAL COMPANY 2001-07-10 US disclosed
WO-2001009207-A2 IMPROVED SILANE FUNCTIONALIZED OLEFIN INTERPOLYMERS AND DERIVATIVES THEREOF THE DOW CHEMICAL COMPANY (US) 2001-02-08 WO disclosed
EP-1054910-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 2000-11-29 EP disclosed
WO-1999041289-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-08-19 WO disclosed