Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3215545

CO[Ti+2]c1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12.[Cl-].[Cl-]

nearest known ligand 0.35

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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
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RCE1 Q9Y256 1/20 0.35
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 7/20 0.35
MAPT P10636 5/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP2 O95551 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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 SCHEMBL3215583 0.81 MAPT (0.31) KDM1AMAPTNPSR1HTR2A
Hydrochloric Acid SCHEMBL3212259 0.80 C5AR1 (0.34) KDM1AALDH1A1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3214674 0.80 NCOA3 (0.33) MEN1KMT2AKDM1AALDH1A1MAPT
SCHEMBL28757848 0.76 ALDH1A1 (0.42) MEN1KMT2ARCE1KDM1AALDH1A1
Hydrochloric Acid SCHEMBL3202392 0.75 MAPT (0.30) MEN1KMT2ARCE1MAPT
SCHEMBL16481156 0.73 KDM1A (0.48) KDM1AALDH1A1MAPTHPGDKDM4E
SCHEMBL6675754 0.73 KDM1A (0.53) MEN1KMT2ARCE1KDM1AALDH1A1
Hydrochloric Acid SCHEMBL3202472 0.70 KDM1A (0.34) MEN1KMT2ARCE1KDM1AALDH1A1
Hydrochloric Acid SCHEMBL3215593 0.70 MEN1 (0.33) MEN1KMT2ARCE1KDM1AALDH1A1
Hydrochloric Acid SCHEMBL3675877 0.70 HTR7 (0.37) MEN1KMT2AALDH1A1MAPTRAB9A

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