Citric Acid

Citric Acid

SCHEMBL1322178

CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc2ccccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.86

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 1)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.86

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
SCHEMBL29372244 0.93 ADRB2 (1.00) ADRB2
SCHEMBL186048 0.93 ADRB2 (1.00) ADRB2
Bromide SCHEMBL1289957 0.92 ADRB2 (1.00) ADRB2
Bromide SCHEMBL523612 0.92 ADRB2 (1.00) ADRB2
Hydrochloric Acid SCHEMBL1320905 0.92 ADRB2 (0.99) ADRB2
Phosphoric Acid SCHEMBL1321143 0.91 ADRB2 (0.96) ADRB2
Sulfuric Acid SCHEMBL1322299 0.90 ADRB2 (0.95) ADRB2
SCHEMBL3592448 0.84 ADRB2 (1.00) ADRB2
SCHEMBL3590466 0.83 ADRB2 (0.82) ADRB2
Trifluoroacetic Acid SCHEMBL3584806 0.83 ADRB2 (0.77) ADRB2

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-8058294-B2 Of N-[2-(Diethylamino)ethyl]-N-(2-{[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}ethyl)-3-[2-(1-naphthyl)ethoxy]propanamide; asthma and chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-11-15 US disclosed
EP-2364704-A1 Combination of beta-adrenoceptor agonist and corticosteroid AstraZeneca AB (SE) 2011-09-14 EP disclosed
US-20100093813-A1 Salts 668 ASTRAZENECA AB (SE) 2010-04-15 US disclosed
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20080249145-A1 Salts 668 ASTRAZENECA AB (SE) 2008-10-09 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-20080249145-A1 Salts 668 DNPEP, SCN8A, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRB2 57/4885
US-20100093813-A1 Salts 668 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN8A, ELANE ADRB2 102/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 ADRB2 6/4885

“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.