Citric Acid

Citric Acid

SCHEMBL4864668

CC(Cc1c[nH]c2ccccc12)NC(=S)NC1CCC(c2ccccc2)(N(C)C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.51

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 17)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 10/20 0.51
MEN1 known ✓ O00255 2/20 0.39
OPRL1 P41146 11/20 0.51
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP2 P08253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APAF1 O14727 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL4857747 0.91 OPRL1 (0.62) OPRL1OPRM1MAPTMAPK1MEN1
Citric Acid SCHEMBL4849178 0.90 OPRL1 (0.46) OPRL1OPRM1MAPTMAPK1POLB
Citric Acid SCHEMBL15794460 0.89 OPRL1 (0.56) OPRL1OPRM1MAPTMAPK1MEN1
Citric Acid SCHEMBL4858613 0.86 OPRL1 (0.60) OPRL1OPRM1MAPTMAPK1MEN1
Citric Acid SCHEMBL4851146 0.85 OPRL1 (0.57) OPRL1OPRM1MAPTMAPK1MEN1
SCHEMBL4850405 0.84 OPRL1 (0.62) OPRL1OPRM1MAPTMAPK1POLB
SCHEMBL4849174 0.84 OPRL1 (0.43) OPRL1OPRM1MAPTMAPK1POLB
Hydrochloric Acid SCHEMBL4850692 0.83 OPRL1 (0.61) OPRL1OPRM1MAPTMAPK1POLB
Citric Acid SCHEMBL4857675 0.80 OPRL1 (0.44) OPRL1OPRM1MAPTMEN1KMT2A
SCHEMBL4852054 0.79 OPRL1 (0.55) OPRL1OPRM1MAPTMAPK1MEN1

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-7348354-B2 Cyclohexylurea compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures GRUENENTHAL GMBH (DE) 2005-11-24 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-20050261358-A1 antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures OPRL1, OPRM1, OGFRL1 OPRM1 2/4885MEN1 4861/4885OPRL1 1/4885

“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.