Citric Acid

Citric Acid

SCHEMBL3868

CNCCC(Oc1ccc(OC)cc1)C1CCCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Citric 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 0.37
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
EPHX2 P34913 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
HPGD P15428 2/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
MDM2 Q00987 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
MITF O75030 1/20 0.37
ACLY P53396 1/20 0.37
EPHX1 P07099 1/20 0.37
CYP1A2 P05177 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
Citric Acid SCHEMBL4189 0.87 SLC13A5 (0.43) RAB9AHPGDKMT2AMEN1EPHX1
SCHEMBL5312894 0.82 EPHX2 (0.36) MMP1MMP2MMP3EPHX2SMN1; SMN2
SCHEMBL10988752 0.78 SLC6A4 (0.41) ALDH1A1NPC1RAB9AMAPTNPSR1
Oxalic Acid SCHEMBL3500 0.77 MEN1 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL5079349 0.71 SLC6A4 (0.51) SMN1; SMN2NPC1RAB9AHPGDEPHX1
SCHEMBL4190 0.70 SLC13A5 (0.40) SMN1; SMN2ALDH1A1RAB9AHPGDKMT2A
SCHEMBL10991359 0.70 SLC6A4 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL10993181 0.69 SLC6A4 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL10995043 0.69 MTNR1A (0.48) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C19
Decanoic Acid SCHEMBL3273 0.69 ALOX5 (0.42) SMN1; SMN2NPC1RAB9AHPGDEPHX1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931346-B2 Serotonin-norepinephrine reuptake inhibitors (SNRIs) and Sigma receptor ligands combinations LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-04-03 US disclosed
US-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-10-27 US disclosed
EP-3082782-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP disclosed
WO-2015091508-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 WO disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2005079284-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2005-09-01 WO disclosed
EP-0654264-B1 Use of venlafaxine or of an aryloxy propanamine compound for the manufacture of a medicament for the treatment of urinary incontinence LILLY CO ELI (US) 2001-05-30 EP disclosed
US-5744474-A ADMINISTERING VENLAFAXINE OR DULOXETINE; TREATING STRESS, URGE AND/OR NOCTURNAL URINARY INCONTINENCE ELI LILLY AND COMPANY (US) 1998-04-28 US disclosed
EP-0654264-A1 Treatment of incontinence with venlafaxine or an aryloxy propanamine compound ELI LILLY AND COMPANY (US) 1995-05-24 EP disclosed
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP 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 (4 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-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS SIGMAR1, OPRL1, SLC6A2 MEN1 3111/4885MMP1 3400/4885MMP2 3277/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 MEN1 3880/4885MMP1 1/4885MMP2 88/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 MEN1 2768/4885MMP1 2/4885MMP2 130/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 MEN1 3880/4885MMP1 1/4885MMP2 88/4885

“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.