Citric Acid

Citric Acid

SCHEMBL5101053

CN(C)CCc1c2n(c3ccc(F)cc13)C(=O)c1ccccc1-2.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.41

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
▸ TACR1 known ✓ P25103 1/20 0.41
▸ MEN1 known ✓ O00255 2/20 0.36
▸ ESR1 known ✓ P03372 1/20 0.34
▸ ESR2 known ✓ Q92731 1/20 0.34
▸ LMNA P02545 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HTR6 P50406 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PTGDR2 Q9Y5Y4 6/20 0.35
▸ PTGDR Q13258 2/20 0.35
▸ PTGIR P43119 1/20 0.35
▸ GMNN O75496 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALOX12 P18054 1/20 0.34

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
Oxalic Acid SCHEMBL5094982 0.89 TACR1 (0.43) TACR1KDM4EHTR6PTGDR2PTGDR
SCHEMBL5094690 0.87 HTR6 (0.44) TACR1HTR6PTGDR2PTGDRPTGIR
Hydrochloric Acid SCHEMBL5094866 0.86 HTR6 (0.43) TACR1HTR6PTGDR2PTGDRPTGIR
Maleic Acid SCHEMBL5094863 0.86 TACR1 (0.42) TACR1HTR6PTGDR2PTGDRPTGIR
Citric Acid SCHEMBL5101057 0.82 PTGDR2 (0.37) TACR1LMNAKDM4EMEN1CYP1A2
SCHEMBL5095599 0.76 TACR1 (0.41) TACR1HTR6CYP2D6PTGDR2PTGDR
SCHEMBL5094719 0.76 TACR1 (0.52) TACR1LMNAKDM4EHTR6MEN1
SCHEMBL5101411 0.75 RXRA (0.45) TACR1HTR6SMN1; SMN2
SCHEMBL5089907 0.75 HTR6 (0.44) TACR1LMNAHTR6MEN1CYP1A2
SCHEMBL5095637 0.74 HTR6 (0.57) TACR1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317035-B2 Tetracyclic arylcarbonyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LIMITED (IN) 2008-01-08 — — US claimed
EP-1517909-B1 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2006-10-25 — — EP claimed
EP-1517909-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Suven Life Sciences Limited (IN) 2005-03-30 — — EP claimed
WO-2004000205-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2003-12-31 — — WO claimed
US-7317035-B2 Tetracyclic arylcarbonyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LIMITED (IN) 2008-01-08 — — US disclosed
EP-1517909-B1 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2006-10-25 — — EP disclosed
US-20050250834-A1 Novel tetracyclic arylcarbonyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2005-11-10 — — US disclosed
EP-1517909-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Suven Life Sciences Limited (IN) 2005-03-30 — — EP disclosed
WO-2004000205-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2003-12-31 — — WO 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-20050250834-A1 Novel tetracyclic arylcarbonyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical composition containing them TPH1, HTR1A, HTR5A TACR1 74/4885MEN1 3355/4885ESR1 1537/4885

“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.

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