Aconitic Acid

Aconitic Acid

SCHEMBL323454

O=C(O)C=C(CC(=O)O)C(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Aconitic 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
MEN1 known ✓ O00255 1/20 0.31
KMT2A known ✓ Q03164 1/20 0.31
TSHR P16473 5/20 0.86
KDM4E B2RXH2 1/20 0.86
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
CPB1 P15086 1/20 0.37
GABRR1 P24046 2/20 0.37
GABRR2 P28476 2/20 0.37
BLM P54132 2/20 0.37
LMNA P02545 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
APEX1 P27695 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36

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
Aconitic Acid SCHEMBL2557134 1.00 TSHR (0.86) TSHRKDM4ETP53EGLN1EGLN3
Aconitic Acid SCHEMBL323452 1.00 TSHR (0.86) TSHRKDM4ETP53EGLN1EGLN3
Aconitic Acid SCHEMBL16935 0.93 TSHR (1.00) TSHRKDM4ECPB1GABRR1GABRR2
Aconitic Acid SCHEMBL2022211 0.93 TSHR (1.00) TSHRKDM4ECPB1GABRR1GABRR2
Aconitic Acid SCHEMBL1275978 0.93 TSHR (1.00) TSHRKDM4ECPB1GABRR1GABRR2
Aconitic Acid SCHEMBL1289876 0.93 TSHR (1.00) TSHRKDM4ECPB1GABRR1GABRR2
Aconitic Acid SCHEMBL219037 0.93 TSHR (1.00) TSHRKDM4ECPB1GABRR1GABRR2
Aconitic Acid SCHEMBL22334 0.93 TSHR (1.00) TSHRKDM4ECPB1GABRR1GABRR2
Aconitic Acid SCHEMBL30275008 0.90 TSHR (0.95) TSHRKDM4ECPB1ALOX15HSD17B10
Aconitic Acid SCHEMBL29245497 0.90 TSHR (0.95) TSHRKDM4ECPB1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591027-B1 STRUCTURED ACRYLATE COPOLYMER THICKENERS LUBRIZOL ADVANCED MAT INC (US) 2015-09-23 EP claimed
US-8673277-B2 Structured acrylate copolymer thickeners LUBRIZOL ADVANCED MATERIALS, INC. (US) 2014-03-18 US claimed
EP-2591027-A1 STRUCTURED ACRYLATE COPOLYMER THICKENERS Lubrizol Advanced Materials, Inc. (US) 2013-05-15 EP claimed
US-20130115185-A1 Structured Acrylate Copolymer Thickeners LUBRIZOL ADVANCED MATERIALS, INC. (US) 2013-05-09 US claimed
WO-2012006402-A1 STRUCTURED ACRYLATE COPOLYMER THICKENERS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2012-01-12 WO claimed
EP-2591027-B1 STRUCTURED ACRYLATE COPOLYMER THICKENERS LUBRIZOL ADVANCED MAT INC (US) 2015-09-23 EP disclosed
EP-0591445-B1 LIQUID DETERGENT WITH STABILIZED ENZYME GENENCOR INT (US) 1999-08-18 EP disclosed
EP-0591445-A1 LIQUID DETERGENT WITH STABILIZED ENZYME GENENCOR INTERNATIONAL, INC. (US) 1994-04-13 EP disclosed
WO-1993000418-A1 LIQUID DETERGENT WITH STABILIZED ENZYME GENENCOR INTERNATIONAL, INC. (US) 1993-01-07 WO disclosed
EP-0482417-A1 Emulsion composition comprising a high molecular weight anionic emulsifying agent and a low molecular weight cationic surfactant, and methods relating thereto THE B.F. GOODRICH COMPANY (US) 1992-04-29 EP disclosed
EP-0459373-A2 Bioadhesive carboxylic polymer composition and method relating thereto THE B.F. GOODRICH COMPANY (US) 1991-12-04 EP disclosed
US-5039446-A Bound to enzyme inhibitor GENENCOR INTERNATIONAL, INC. (US) 1991-08-13 US disclosed