Gentisic Acid

Gentisic Acid

SCHEMBL455606

O.O=C(O)c1cc(O)ccc1O

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Gentisic 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
PTGS2 known ✓ P35354 3/20 0.95
ALOX5 known ✓ P09917 1/20 0.95
MEN1 known ✓ O00255 2/20 0.59
KDR known ✓ P35968 2/20 0.59
THRB known ✓ P10828 1/20 0.59
EGFR known ✓ P00533 3/20 0.58
PDE4A known ✓ P27815 1/20 0.57
DHFR known ✓ P00374 1/20 0.55
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
ALDH1A1 P00352 4/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 3/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 2/20 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 SCHEMBL28233271 1.00 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL28945861 1.00 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL8084110 0.98 CA1 (0.91) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL3690 0.98 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL29349919 0.98 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL2053863 0.98 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL30233582 0.98 CA1 (1.00) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL8922036 0.95 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL10978035 0.95 CA1 (0.95) CA1CA2CA12CA7CA9
Gentisic Acid SCHEMBL3981503 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636832-A Pharmaceutically acceptable salts and crystal forms of pyrimido-pyrrole compounds and preparation methods thereof 江苏先声药业有限公司 2023-01-24 CN claimed
CN-115636832-A Pharmaceutically acceptable salts and crystal forms of pyrimido-pyrrole compounds and preparation methods thereof 江苏先声药业有限公司 2023-01-24 CN disclosed
CN-114703244-A Method for reducing trisulfide bonds during recombinant production of polypeptides 豪夫迈·罗氏有限公司 2022-07-05 CN disclosed
CN-114641275-A Solid compositions comprising a PCSK9 inhibitor and a salt of N- (8- (2-hydroxybenzoyl) amino) caprylic acid 诺和诺德股份有限公司 2022-06-17 CN disclosed
CN-114641276-A Solid compositions comprising a GLP-1 agonist, an SGLT2 inhibitor, and a salt of N- (8- (2-hydroxybenzoyl) amino) caprylic acid 诺和诺德股份有限公司 2022-06-17 CN disclosed
US-9290492-B2 Solid forms of antibiotics LABORATORIOS SENOSIAIN S.A. DE C.V. (MX) 2016-03-22 US disclosed
US-20140088116-A1 Novel Solid Forms of Antibiotics LABORATORIOS SENOSIAIN S.A. DE C.V. (MX) 2014-03-27 US disclosed
US-20120065365-A1 Stable Radiopharmaceutical Compositions and Methods for Their Preparation BRACCO IMAGING S.P.A. (IT) 2012-03-15 US disclosed
US-20110206606-A1 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION BRACCO IMAGING S.P.A. (IT) 2011-08-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110206606-A1 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION GRPR, GIPR, SSTR3 PTGS2 4153/4885ALOX5 4125/4885MEN1 143/4885
US-20120065365-A1 Stable Radiopharmaceutical Compositions and Methods for Their Preparation GRPR, GIPR, SSTR3 PTGS2 4078/4885ALOX5 4144/4885MEN1 152/4885
US-20140088116-A1 Novel Solid Forms of Antibiotics Q6ZSR9, ABCG2, SFPQ PTGS2 4586/4885ALOX5 4022/4885MEN1 3190/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.