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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SLC13A5 | Q86YT5 | 10/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | SLC13A2 | Q13183 | 1/20 | 0.41 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.41 |
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 SCHEMBL27897976 | 0.88 | ALDH1A1 (0.60) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 | |
| Citric Acid SCHEMBL28101391 | 0.83 | ALDH1A1 (0.65) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 | |
| Citric Acid SCHEMBL28313541 | 0.83 | SLC13A5 (0.69) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 | |
| Citric Acid SCHEMBL1550236 | 0.82 | ALDH1A1 (0.88) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 | |
| Citric Acid SCHEMBL2075184 | 0.82 | SLC13A5 (0.67) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 | |
| .Beta.-Hydroxyisovaleric Acid SCHEMBL9203173 | 0.82 | CYP2C19 (0.53) | ALDH1A1LMNACYP2D6MEN1KMT2A | |
| Citric Acid SCHEMBL21219125 | 0.82 | SLC13A5 (0.67) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 | |
| Citric Acid SCHEMBL6600942 | 0.82 | ALDH1A1 (0.62) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 | |
| Citric Acid SCHEMBL29022828 | 0.81 | HIF1A (0.58) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 | |
| Citric Acid SCHEMBL28587369 | 0.81 | ALDH1A1 (0.56) | ALDH1A1LMNAKDM4ECYP1A2CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084736-A | Organic synthesis method for protecting hydroxyl by benzyl | 渭南瑞联制药有限责任公司 | 2024-05-28 | — | — | CN | disclosed |
| EP-3344620-A1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017117248-A1 | COMPOSITIONS AND METHODS FOR DETECTION OF SMALL MOLECULES | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2017-07-06 | — | — | WO | disclosed |
| WO-2017037166-A1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-03-09 | — | — | WO | disclosed |
| EP-2531197-A1 | SOLID STATE FORMS OF MACROCYCLIC KINASE INHIBITORS | Tragara Pharmaceuticals, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011097525-A1 | SOLID STATE FORMS OF MACROCYCLIC KINASE INHIBITORS | TRAGARA PHARMACEUTICALS, INC. (US) | 2011-08-11 | — | — | WO | disclosed |