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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC13A5 | Q86YT5 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2022467 | 0.78 | PARP1 (0.36) | ALDH1A1KDM4EMEN1LMNACYP1A2 | |
| Citric Acid SCHEMBL27484746 | 0.67 | ALDH1A1 (0.94) | ALDH1A1SLC13A5KDM4EMEN1LMNA | |
| Citric Acid SCHEMBL28313541 | 0.66 | SLC13A5 (0.69) | ALDH1A1SLC13A5KDM4EMEN1LMNA | |
| Citric Acid SCHEMBL1550236 | 0.65 | ALDH1A1 (0.88) | ALDH1A1SLC13A5KDM4EMEN1LMNA | |
| Citric Acid SCHEMBL21219125 | 0.65 | SLC13A5 (0.67) | ALDH1A1SLC13A5KDM4EMEN1LMNA | |
| Citric Acid SCHEMBL3417188 | 0.65 | ALDH1A1 (1.00) | ALDH1A1SLC13A5KDM4EMEN1LMNA | |
| Citric Acid SCHEMBL240402 | 0.65 | ALDH1A1 (1.00) | ALDH1A1SLC13A5KDM4EMEN1LMNA | |
| Citric Acid SCHEMBL1331942 | 0.65 | ALDH1A1 (1.00) | ALDH1A1SLC13A5KDM4EMEN1LMNA | |
| Citric Acid SCHEMBL10896997 | 0.65 | ALDH1A1 (1.00) | ALDH1A1SLC13A5KDM4EMEN1LMNA | |
| Citric Acid SCHEMBL725546 | 0.65 | ALDH1A1 (1.00) | ALDH1A1SLC13A5KDM4EMEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017015437-A2 | COMBINATION OF PI3KINASE INHIBITORS AND AURORA KINASE INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-01-26 | — | — | WO | disclosed |