Citric Acid

Citric Acid

SCHEMBL3729558

Cn1c(=O)c2c(ncn2CCN2CCN(c3ccccc3Cl)CC2)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.54

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
HTR7 known ✓ P34969 1/20 0.54
ADORA2B known ✓ P29275 5/20 0.48
HTR6 P50406 1/20 0.54
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
RXFP1 Q9HBX9 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.46
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL458792 0.89 HTR7 (0.63) HTR7HTR6TSHRL3MBTL1ADORA2B
SCHEMBL29375465 0.89 HTR7 (0.63) HTR7HTR6TSHRL3MBTL1ADORA2B
Ammonia Solution, Strong SCHEMBL12804036 0.88 HTR7 (0.62) HTR7HTR6TSHRL3MBTL1ADORA2B
Hydrochloric Acid SCHEMBL2290149 0.88 HTR7 (0.65) HTR7HTR6TSHRL3MBTL1ADORA2B
SCHEMBL11152654 0.83 HTR7 (0.73) HTR7HTR6TSHRL3MBTL1ADORA2B
SCHEMBL11152582 0.82 HTR7 (0.74) HTR7HTR6TSHRL3MBTL1ADORA2B
SCHEMBL684356 0.81 HTR7 (0.58) HTR7HTR6TSHRL3MBTL1ADORA2B
SCHEMBL2626922 0.79 HTR7 (0.63) HTR7HTR6TSHRL3MBTL1ADORA2B
SCHEMBL4401766 0.79 HTR7 (0.62) HTR7HTR6TSHRL3MBTL1ADORA2B
SCHEMBL4399057 0.79 TSHR (0.72) HTR7HTR6TSHRL3MBTL1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280041-A1 RHOKINASE-DEPENDENT INHIBITION ACTIVITY ON PULMONARY ARTERY ENDOTHELIUM DYSFUNCTION, MEDIAL WALL THICKNESS AND VASCULAR OBSTRUCTION OF PULMODIL AND PULMODIL-1 KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-04 US claimed

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-20100280041-A1 RHOKINASE-DEPENDENT INHIBITION ACTIVITY ON PULMONARY ARTERY ENDOTHELIUM DYSFUNCTION, MEDIAL WALL THICKNESS AND VASCULAR OBSTRUCTION OF PULMODIL AND PULMODIL-1 ROCK1, MYLK, PTGIR HTR7 3815/4885ADORA2B 2518/4885HTR6 4222/4885

“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.