Gentisic Acid

Gentisic Acid

SCHEMBL10975219

O=C(O)c1cc(O)ccc1O.[SnH2]

nearest known ligand 0.95

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.95
CA2 P00918 4/20 0.95
CA12 O43570 3/20 0.95
CA7 P43166 3/20 0.95
CA9 Q16790 3/20 0.95
CA14 Q9ULX7 3/20 0.95
PTGS2 P35354 3/20 0.95
ALOX5 P09917 1/20 0.95
ALDH1A1 P00352 3/20 0.64
TSHR P16473 1/20 0.64
MEN1 O00255 2/20 0.59
KDR P35968 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TNF P01375 1/20 0.59
CYP3A4 P08684 1/20 0.59
HSPD1 P10809 1/20 0.59
THRB P10828 1/20 0.59

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
Gentisic Acid SCHEMBL2053863 0.98 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL29349919 0.98 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL3690 0.98 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL30233582 0.98 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL344389 0.95 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL450480 0.95 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL10980548 0.95 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL455606 0.95 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL3981503 0.95 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL8922036 0.95 CA1 (0.95) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4497744-A Gentisic acid salts as radiographic scanning agent stabilizers MALLINCKRODT, INC. (US) 1985-02-05 US claimed
US-4497744-A Gentisic acid salts as radiographic scanning agent stabilizers MALLINCKRODT, INC. (US) 1985-02-05 US disclosed
EP-0004684-B1 STABILIZED RADIOGRAPHIC SCANNING AGENTS AND METHOD FOR PREPARING THEM THE PROCTER & GAMBLE COMPANY (US) 1981-09-16 EP disclosed
US-4233284-A GENESTIC ACID, SALT OR ESTER THEREOF IN COMBINATION WITH A PERTECHNETATE REDUCING AGENT BECOMES LOCALIZED IN SPECIFIC BODY ORGANS OR BONES THE PROCTER & GAMBLE COMPANY (US) 1980-11-11 US disclosed
EP-0004684-A2 Stabilized radiographic scanning agents and method for preparing them THE PROCTER & GAMBLE COMPANY (US) 1979-10-17 EP disclosed