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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ACLY | P53396 | 9/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 SCHEMBL21957744 | 0.77 | ALDH1A1 (0.48) | ALDH1A1 | |
| Citric Acid SCHEMBL29210073 | 0.77 | ALDH1A1 (0.48) | ALDH1A1 | |
| Hypochlorous Acid SCHEMBL11428546 | 0.75 | CYP3A4 (0.91) | CYP3A4ALDH1A1 | |
| SCHEMBL29682476 | 0.75 | — | — | |
| SCHEMBL91986 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1027889 | 0.73 | CYP3A4 (0.95) | CYP3A4ALDH1A1 | |
| Sulfuric Acid SCHEMBL31129159 | 0.72 | CYP3A4 (0.76) | CYP3A4ALDH1A1 | |
| Citric Acid SCHEMBL27897976 | 0.72 | ALDH1A1 (0.60) | ALDH1A1 | |
| Citric Acid SCHEMBL5064884 | 0.72 | ALDH1A1 (0.60) | CYP3A4ALDH1A1 | |
| Citric Acid SCHEMBL28101391 | 0.71 | ALDH1A1 (0.65) | ACLYALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118702581-A | Efficient separation method of 3-chloro-2-methylaniline and 5-chloro-2-methylaniline | 上海鲲博玖瑞医药科技发展有限公司 | 2024-09-27 | — | — | CN | disclosed |