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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.45 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27663466 | 0.89 | TSHR (0.45) | KDM4ELMNAKMT2AMEN1CYP2D6 | |
| SCHEMBL1165789 | 0.84 | TSHR (0.46) | KDM4ELMNAKMT2AMEN1CYP2D6 | |
| SCHEMBL4041867 | 0.83 | TSHR (0.47) | KDM4ELMNAKMT2AMEN1TP53 | |
| SCHEMBL4298978 | 0.81 | LMNA (0.46) | KDM4ELMNAKMT2AMEN1CYP1A2 | |
| SCHEMBL4759819 | 0.76 | KDM4E (0.43) | KDM4ELMNAKMT2AMEN1CYP1A2 | |
| Dibutyl Phthalate SCHEMBL18094424 | 0.76 | TSHR (0.69) | KDM4ELMNAKMT2AMEN1CYP1A2 | |
| Citric Acid SCHEMBL29022828 | 0.75 | HIF1A (0.58) | KDM4ELMNAKMT2AMEN1CYP1A2 | |
| SCHEMBL6898466 | 0.73 | CYP2C19 (0.46) | KDM4ELMNAKMT2AMEN1CYP1A2 | |
| Citric Acid SCHEMBL28666095 | 0.73 | ALDH1A1 (0.58) | KDM4ELMNAKMT2AMEN1CYP1A2 | |
| SCHEMBL1670311 | 0.73 | CYP2C19 (0.46) | KDM4ELMNAKMT2AMEN1CYP1A2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5965581-A | COMPOSITION OF 2-S-(N-BUTYLSULFONYLAMINO)-3-(4-(4-(PIPERIDIN-4-YL)BUTYLOXY)PHENYL)PROPIONIC ACID, SODIUM CHLORIDE, SODIUM CITRATE DIHYDRATE, AND CITRIC ACID ANHYDROUS, OF SPECIFIC OSMOLALITY; PREVENTS THROMBOSIS | MERCK & CO., INC. (US) | 1999-10-12 | — | — | US | disclosed |