Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3264206

CC(C)(C)N([Ti+2])Cc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12.[Cl-].[Cl-]

nearest known ligand 0.35

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 2/20 0.33
ACHE known ✓ P22303 1/20 0.33
SLC6A3 known ✓ Q01959 1/20 0.32
KDM4E B2RXH2 5/20 0.35
MAPT P10636 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 6/20 0.33
GAA P10253 3/20 0.33
SLC6A4 P31645 5/20 0.33
CYP2D6 P10635 4/20 0.33
LMNA P02545 3/20 0.33
NR1I2 O75469 1/20 0.33
ADRA2A P08913 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
TAAR1 Q96RJ0 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 SCHEMBL3258706 0.82 KDM4E (0.32) KDM4EMAPTTDP1KMT2AALDH1A1
SCHEMBL3264210 0.81 KDM4E (0.34) KDM4EMAPTTDP1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3261602 0.81 KMT2A (0.35) KDM4EMAPTTDP1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3261045 0.79 KMT2A (0.32) KMT2A
Hydrochloric Acid SCHEMBL3262855 0.78 CYP1A2 (0.34) KDM4EMAPTTDP1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3259248 0.78 KDM4E (0.32) KDM4EMAPTTDP1
Hydrochloric Acid SCHEMBL3261208 0.76 GPR3 (0.34) HTR2A
SCHEMBL3215722 0.75 KMT2A (0.41) KDM4EMAPTKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL3215554 0.74 ALDH1A1 (0.35) KDM4EMAPTTDP1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3750227 0.73 PNMT (0.35) KDM4EMAPTTDP1KMT2AALDH1A1

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