Citric Acid

Citric Acid

SCHEMBL4635960

CC(C)CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCNC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.80

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 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 20/20 0.80
SLC6A4 P31645 20/20 0.80
SLC6A3 Q01959 18/20 0.80
KCNH2 Q12809 9/20 0.80
OPRK1 P41145 1/20 0.80

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
SCHEMBL4634170 0.89 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634382 0.81 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634086 0.81 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634162 0.80 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634045 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634825 0.80 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634911 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634498 0.77 SLC6A4 (0.78) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634231 0.77 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3KCNH2OPRK1
SCHEMBL4634890 0.76 SLC6A4 (0.77) SLC6A2SLC6A4SLC6A3KCNH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306123-A1 NOVEL COMPOUNDS PFIZER INC. (US) 2008-12-11 US disclosed
EP-1638933-B1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALINE RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2008-06-11 EP disclosed
US-7378436-B2 Compounds PFIZER INC. (US) 2008-05-27 US disclosed
US-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting PFIZER INC 2005-06-23 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 (2 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-20050137229-A1 Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting AOC3, ADRB3, HTR3C SLC6A2 117/4885SLC6A4 193/4885SLC6A3 115/4885
US-20080306123-A1 NOVEL COMPOUNDS ADRB3, HTR3A, HTR3C SLC6A2 51/4885SLC6A4 93/4885SLC6A3 74/4885

“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.