Amaranth

Amaranth

SCHEMBL9577786

O=S(=O)([O-])c1ccc2c(/N=N/c3ccc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Amaranth. 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
THRB known ✓ P10828 3/20 0.80
MEN1 O00255 1/20 0.80
KMT2A Q03164 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
CYP1A2 P05177 5/20 0.64
HIF1A Q16665 3/20 0.64
ALDH1A1 P00352 3/20 0.64
CTRB1 P17538 1/20 0.53
CYP2C9 P11712 2/20 0.49
TSHR P16473 1/20 0.49
PTPRA P18433 1/20 0.49
PTPRB P23467 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ENPP2 Q13822 2/20 0.48
PTPN1 P18031 2/20 0.46
MAPK1 P28482 1/20 0.46
DNASE1L3 Q13609 1/20 0.46
MPL P40238 4/20 0.46

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
Amaranth SCHEMBL9577792 1.00 THRB (0.80) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL16650532 0.97 THRB (0.85) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL185413 0.96 THRB (0.72) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL29377564 0.96 THRB (0.72) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL40941 0.96 THRB (0.72) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL8618995 0.96 THRB (0.72) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL29352916 0.96 THRB (0.72) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL21803836 0.95 THRB (0.71) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL29594209 0.93 THRB (0.89) THRBMEN1KMT2ATDP1CYP1A2
Amaranth SCHEMBL927998 0.93 THRB (0.89) THRBMEN1KMT2ATDP1CYP1A2

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
EP-0229191-B1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1993-06-02 EP disclosed
US-4855133-A Composition for attracting flies EARTH CHEMICAL COMPANY, LIMITED (JP) 1989-08-08 US disclosed
EP-0229191-A1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1987-07-22 EP disclosed