Primaquine

Primaquine

SCHEMBL979493

COc1cc(NC(C)CCCN)c2ncccc2c1.[NaH].[NaH]

nearest known ligand 0.98

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.98
ALDH1A1 P00352 3/20 0.98
CYP1A2 P05177 2/20 0.98
CASP1 P29466 2/20 0.98
TP53 P04637 2/20 0.98
ABCB11 O95342 1/20 0.98
ESR1 P03372 1/20 0.98
PGR P06401 1/20 0.98
ADRB2 P07550 1/20 0.98
CHRM2 P08172 1/20 0.98
ADRB1 P08588 1/20 0.98
HTR1A P08908 1/20 0.98
ADRA2A P08913 1/20 0.98
ADORA3 P0DMS8 1/20 0.98
NQO2 P16083 1/20 0.98
MAOA P21397 1/20 0.98
PTGS1 P23219 1/20 0.98
SLC6A2 P23975 1/20 0.98
MAOB P27338 1/20 0.98
PDE4A P27815 1/20 0.98

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
Primaquine SCHEMBL29409423 0.99 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL12599100 0.99 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL22208 0.99 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL22207 0.99 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL4959404 0.98 KDM4E (0.98) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL6333949 0.98 KDM4E (0.98) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL9240759 0.95 KDM4E (0.92) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL4954948 0.94 KDM4E (0.90) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL41097 0.93 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53
Primaquine SCHEMBL29576219 0.93 KDM4E (1.00) KDM4EALDH1A1CYP1A2CASP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871808-B2 Isolated microorganism having an ability to produce L-histidine KYOWA HAKKO BIO CO., LTD. (JP) 2011-01-18 US disclosed
EP-1085086-B1 Method for producing L-histidine by fermentation using DNA gyrase inhibitor resistant bacterial strains KYOWA HAKKO KOGYO KK (JP) 2008-03-19 EP disclosed
EP-1085087-B1 Method for producing L-histidine by fermentation using aminoquinoline resistant bacterial strains of the genus Escherichia KYOWA HAKKO KOGYO KK (JP) 2007-06-20 EP disclosed
US-20060194302-A1 Method for producing amino acids by fermentation KYOWA HAKKO BIO CO., LTD. (JP) 2006-08-31 US disclosed
US-7067289-B1 Method for producing histidine by fermentation with E. coli KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-06-27 US disclosed
US-6706517-B2 GENERATING HISTIDINE IN BACTERIAL CULTURE; OBTAIN MICROORGANISM CAPABLE OF GENERATING HISTIDINE, CULTURE, RECOVER HISTIDINE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-03-16 US disclosed
US-20020102665-A1 Method for producing L-amino acids by fermentation KYOWA HAKKO BIO CO., LTD. (JP) 2002-08-01 US disclosed
US-6344347-B1 PRODUCING L-HISTIDINE FROM A MUTANT ESCHERICHIA MICROORGANISM USING ULTRAVIOLET IRRADIATION AND TREATMENT WITH A MUTAGEN, THEN CULTURE THE MUTANT CELLS ON AGAR PLATES CONTAINING A DNA GYRASE INHIBITOR TO PREVENT PARENT STRAIN FROM GROWING KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-02-05 US disclosed
EP-1085087-A2 Method for producing amino acids by fermentation using aminoquinoline resistant bacterial strains KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-21 EP disclosed
EP-1085086-A2 Method for producing amino acids by fermentation using DNA gyrase inhibitor resistant bacterial strains KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-21 EP disclosed