Citric Acid

Citric Acid

SCHEMBL15407980

CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCCN(C)CC4)ccc3OCC)nn12.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.79

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
PDE5A known ✓ O76074 20/20 0.79
ADORA1 known ✓ P30542 2/20 0.69
ADORA3 known ✓ P0DMS8 1/20 0.69
ADORA2A known ✓ P29274 1/20 0.56
PDE1A P54750 8/20 0.79
PDE1B Q01064 8/20 0.79
PDE1C Q14123 8/20 0.79
PDE4B Q07343 3/20 0.79
ABCC4 O15439 2/20 0.70
PDE6A P16499 3/20 0.69
PDE2A O00408 2/20 0.69
PDE6D O43924 2/20 0.69
PDE9A O76083 2/20 0.69
PDE6G P18545 2/20 0.69
PDE4A P27815 2/20 0.69
ADRA1A P35348 2/20 0.69
PDE6B P35913 2/20 0.69
PDE6C P51160 2/20 0.69
PDE4C Q08493 2/20 0.69
PDE4D Q08499 2/20 0.69

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
SCHEMBL12823559 0.91 PDE5A (0.94) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL5537 0.89 PDE5A (1.00) PDE5APDE1APDE1BPDE1CPDE4B
Hydrochloric Acid SCHEMBL974638 0.88 PDE5A (0.98) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL24430082 0.87 PDE5A (0.88) PDE5APDE1APDE1BPDE1CPDE4B
Lactic Acid SCHEMBL974011 0.87 PDE5A (0.87) PDE5APDE1APDE1BPDE1CPDE4B
Citric Acid SCHEMBL14836744 0.85 PDE5A (0.95) PDE5APDE1APDE1BPDE1CPDE4B
Citric Acid SCHEMBL14836746 0.85 PDE5A (0.95) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12922554 0.85 PDE5A (0.86) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL15407982 0.84 PDE5A (0.79) PDE5APDE1APDE1BPDE1CPDE4B
SCHEMBL12922553 0.84 PDE5A (0.94) PDE5APDE1APDE1BPDE1CPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221825-B2 Pyrazolopyrimidinone compound and imidazo triazone compound for treating erectile dysfunction ZHEJIANG DADE PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-12-29 US disclosed
US-20140018351-A1 Pyrazolopyrimidinone Compound and Imidazo Triazone Compound for Treating Erectile Dysfunction Zhejiang Date Pharmaceutical Group Co. Ltd (CN) 2014-01-16 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 (1 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-20140018351-A1 Pyrazolopyrimidinone Compound and Imidazo Triazone Compound for Treating Erectile Dysfunction PDE3A, PDE3B, PDE5A PDE5A 3/4885ADORA1 679/4885ADORA3 250/4885

“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.