Gallic Acid

Gallic Acid

SCHEMBL8649681

O=C([O-])c1cc(O)c(O)c(O)c1.O=C([O-])c1cc(O)c(O)c(O)c1.[K+].[Na+]

nearest known ligand 0.54

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Gallic 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
▸ KDM4E B2RXH2 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ FUT7 Q11130 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA4 P22748 2/20 0.54
▸ CA12 O43570 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CA3 P07451 1/20 0.54
▸ SELL P14151 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ SELP P16109 1/20 0.54
▸ FUT4 P22083 1/20 0.54
▸ CA6 P23280 1/20 0.54
▸ DPP4 P27487 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CA5A P35218 1/20 0.54

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
Gallic Acid SCHEMBL2589994 0.97 KDM4E (0.56) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL729825 0.97 KDM4E (0.56) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL28109427 0.95 CA2 (0.54) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL4276877 0.95 KDM4E (0.54) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL4276882 0.95 KDM4E (0.54) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL28212205 0.95 KDM4E (0.54) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL8649680 0.95 KDM4E (0.54) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL28654164 0.95 KDM4E (0.59) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL338355 0.92 KDM4E (0.56) KDM4ELMNATDP1CA2ALDH1A1
Gallic Acid SCHEMBL15529595 0.92 KDM4E (0.56) KDM4ELMNATDP1CA2ALDH1A1

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-0688738-B1 A gallium silicate having 12-ring pores (ECR-34) and a method for its preparation EXXON RESEARCH ENGINEERING CO (US) 1998-09-16 — — EP disclosed
EP-0688738-A2 A gallium silicate having 12-ring pores (ECR-34) and a method for its preparation EXXON RESEARCH AND ENGINEERING COMPANY (US) 1995-12-27 — — EP disclosed
US-5455020-A Hydrated zeolite containing oxides of potassium, sodium, aluminum, gallium and silicon, and tetraethylammonium ion; hydrorefining catalysts, adsorbers EXXON RESEARCH & ENGINEERING CO. (US) 1995-10-03 — — US disclosed
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