Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4533374

Cc1cccc(C)c1N(C(=O)CC(N)=O)c1c(C)cccc1C.[Cl-].[Cl-].[Ti+2]

nearest known ligand 0.38

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
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
SCN3A Q9NY46 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
MC4R P32245 1/20 0.35
SCN4A P35499 1/20 0.35
MC3R P41968 1/20 0.35
HTR3A P46098 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
GAA P10253 1/20 0.34

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 SCHEMBL4534476 0.79 CA2 (0.36) ALDH1A1MAPTTDP1GAANLRP3
Hydrochloric Acid SCHEMBL4542716 0.79 SMN1; SMN2 (0.40) HPGDCYP3A4TDP1LMNAHTR2B
SCHEMBL29881932 0.79 CYP3A4 (0.39) HSD17B10CYP3A4TDP1LMNAHTR2B
SCHEMBL9843890 0.75 SMN1; SMN2 (0.41) HPGDCYP3A4TDP1LMNAHTR2B
SCHEMBL6624347 0.74 SLC9A1 (0.38) ALDH1A1MAPTHSD17B10MAPK1HPGD
SCHEMBL830792 0.68 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10CYP3A4TP53
SCHEMBL11416884 0.67 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10MAPK1CYP3A4
SCHEMBL11780322 0.67 TSHR (0.41) ALDH1A1MAPTHSD17B10HPGDCYP3A4
SCHEMBL6037591 0.67 ESR1 (0.41) ALDH1A1CYP3A4LMNASCN2AHDAC6
SCHEMBL6762555 0.66 ALOX5 (0.37) ALDH1A1MAPTHSD17B10MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013047891-A2 WASHING METHOD, ADDITION POLYMERIZATION METHOD, PREPOLYMERIZATION METHOD, PREPOLYMERIZED CATALYTIC COMPONENT FOR ADDITION POLYMERIZATION, AND METHOD FOR PRODUCING ADDITION POLYMER USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-04 WO disclosed
WO-2012118233-A1 ADDITION POLYMERIZATION METHOD, PREPOLYMERIZED CATALYTIC COMPONENT FOR ADDITION POLYMERIZATION, AND METHOD FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-07 WO disclosed
WO-2012063972-A1 METHOD FOR COATING REACTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-18 WO disclosed
US-7202316-B2 Modified particle, catalyst component for addition polymerization, catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-10 US disclosed
US-20050192178-A1 Modified particle, catalyst component for addition polymerization, catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-01 US disclosed