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 | 0.42 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL437151 | 1.00 | ALDH1A1 (0.60) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| Propionic Acid SCHEMBL27572376 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| SCHEMBL27997500 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| SCHEMBL9615611 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| Malonic Acid SCHEMBL28763621 | 0.94 | ALDH1A1 (0.54) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| SCHEMBL27572383 | 0.92 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| SCHEMBL27588804 | 0.92 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| SCHEMBL934375 | 0.92 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| SCHEMBL144692 | 0.92 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 | |
| SCHEMBL9325416 | 0.90 | ALDH1A1 (0.68) | ALDH1A1KDM4ELMNACYP2D6CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126838-A4 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-02-16 | — | — | EP | disclosed |
| EP-1126838-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025776-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-05-11 | — | — | WO | disclosed |