Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3202472

CC(C)(O[Ti+2])c1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12.[Cl-].[Cl-]

nearest known ligand 0.34

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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 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 8/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
KEAP1 Q14145 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 1/20 0.32
RCE1 Q9Y256 1/20 0.32

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
SCHEMBL3202488 0.81 MEN1 (0.33) KDM1AALDH1A1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL3206488 0.76
Hydrochloric Acid SCHEMBL3216590 0.75 GPR3 (0.33)
SCHEMBL27660223 0.75 ALDH1A1 (0.33) KDM1AALDH1A1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL3192580 0.73 MAPT (0.33) KDM1AALDH1A1HPGDKDM4EMAPK1
Hydrochloric Acid SCHEMBL3215554 0.72 ALDH1A1 (0.35) KDM1AALDH1A1HSD17B10HPGDTSHR
SCHEMBL28757848 0.72 ALDH1A1 (0.42) KDM1AALDH1A1HSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL3681645 0.72 PNMT (0.35) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL6675754 0.72 KDM1A (0.53) KDM1AALDH1A1HSD17B10HPGDTSHR
SCHEMBL16481156 0.72 KDM1A (0.48) KDM1AALDH1A1HSD17B10HPGDTSHR

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-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed