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 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | SLC13A5 | Q86YT5 | 9/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ARG1 | P05089 | 1/20 | 0.34 |
| ▸ | ARG2 | P78540 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Citric Acid SCHEMBL6230636 | 0.83 | ALDH1A1 (0.68) | ALDH1A1SLC13A5KDM4ELMNATSHR | |
| SCHEMBL18283303 | 0.82 | ALDH1A1 (0.67) | ALDH1A1SLC13A5TSHRHMGCRCHRM1 | |
| SCHEMBL14818896 | 0.82 | ALDH1A1 (0.67) | ALDH1A1SLC13A5TSHRHMGCRCHRM1 | |
| Citric Acid SCHEMBL2636987 | 0.82 | ALDH1A1 (0.83) | ALDH1A1SLC13A5KDM4ELMNATSHR | |
| Citric Acid SCHEMBL426935 | 0.82 | ALDH1A1 (0.83) | ALDH1A1SLC13A5KDM4ELMNATSHR | |
| Citric Acid SCHEMBL2767900 | 0.82 | ALDH1A1 (0.94) | ALDH1A1SLC13A5KDM4ELMNATSHR | |
| Citric Acid SCHEMBL664207 | 0.82 | ALDH1A1 (0.94) | ALDH1A1SLC13A5KDM4ELMNATSHR | |
| Citric Acid SCHEMBL227914 | 0.82 | ALDH1A1 (0.94) | ALDH1A1SLC13A5KDM4ELMNATSHR | |
| Citric Acid SCHEMBL29629071 | 0.82 | ALDH1A1 (0.94) | ALDH1A1SLC13A5KDM4ELMNATSHR | |
| Citric Acid SCHEMBL9299044 | 0.82 | ALDH1A1 (0.94) | ALDH1A1SLC13A5KDM4ELMNATSHR |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003076-B2 | Methods for conducting metabolic analyses | TARGET DISCOVERY, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| EP-2293056-A2 | A method for analysing a metabolic pathway | Target Discovery, Inc. (US) | 2011-03-09 | — | — | EP | disclosed |