Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 3/20 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
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 SCHEMBL1291555 | 0.97 | CA4 (0.94) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL42945 | 0.97 | CA4 (0.94) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL22686437 | 0.97 | CA4 (0.94) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL29587574 | 0.97 | CA4 (0.94) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL23012792 | 0.94 | CA4 (0.89) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL21555662 | 0.94 | CA4 (0.89) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL1155635 | 0.94 | CA4 (0.89) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL20668547 | 0.94 | CA4 (0.89) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL362818 | 0.94 | CA4 (0.89) | CA4ALDH1A1CASP1 | |
| Citric Acid SCHEMBL63463 | 0.94 | CA4 (0.89) | CA4ALDH1A1CASP1 |
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-20220130489-A1 | SYSTEM AND METHOD FOR PROVIDING NEOANTIGEN IMMUNOTHERAPY INFORMATION BY USING ARTIFICIAL-INTELLIGENCE-MODEL-BASED MOLECULAR DYNAMICS BIG DATA | SYNTEKABIO,INC. (KR) | 2022-04-28 | — | — | US | disclosed |
| WO-1991017751-A1 | ORALLY ADMINISTRABLE GALLIUM COMPOSITIONS AND METHODS OF TREATMENT THEREWITH | FUJISAWA, INC. (US) | 1991-11-28 | — | — | WO | disclosed |