Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3262855

Cc1cc(C)c(N([Ti+2])Cc2c(C3c4ccccc4-c4ccccc43)ccc3ccccc23)c(C)c1.[Cl-].[Cl-]

nearest known ligand 0.34

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
TACR1 known ✓ P25103 1/20 0.30
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
CYP1A2 P05177 3/20 0.34
CYP2A6 P11509 3/20 0.34
CRHR1 P34998 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KMT2A Q03164 4/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 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 SCHEMBL3260104 0.84 CYP1A2 (0.31) CYP1A2CYP2A6KMT2ATACR1SLC6A2
SCHEMBL3262857 0.82 CYP1A2 (0.33) CYP1A2CYP2A6CRHR1KDM4EMAPT
Hydrochloric Acid SCHEMBL3261602 0.82 KMT2A (0.35) CYP1A2KDM4EMAPTTDP1KMT2A
Hydrochloric Acid SCHEMBL3263067 0.81 EGFR (0.30)
Hydrochloric Acid SCHEMBL3264248 0.80 CYP1A2 (0.31) CYP1A2CYP2A6KMT2AMEN1
Hydrochloric Acid SCHEMBL3261813 0.79 GPR3 (0.31)
Hydrochloric Acid SCHEMBL3264206 0.78 KDM4E (0.35) CYP1A2KDM4EMAPTTDP1KMT2A
Hydrochloric Acid SCHEMBL3738279 0.76 PNMT (0.33) CYP1A2CYP2A6KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL3259731 0.74 CYP1A2 (0.35) CYP1A2CYP2A6KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL3260414 0.74 CYP1A2 (0.33) CYP1A2CYP2A6KDM4EMAPTTDP1

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