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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.46 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.42 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 SCHEMBL6131999 | 0.94 | MEN1 (0.53) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL6131791 | 0.85 | KDM4E (0.62) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL6131892 | 0.80 | MEN1 (0.67) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL5688279 | 0.74 | FFAR1 (0.56) | KMT2AMEN1 | |
| SCHEMBL5687885 | 0.72 | FFAR4 (0.52) | ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL6131836 | 0.71 | HTR7 (0.50) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| Hydrochloric Acid SCHEMBL6131979 | 0.70 | HTR7 (0.49) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL10338948 | 0.69 | CYP3A4 (0.74) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL514870 | 0.69 | KMT2A (0.82) | KDM4ECYP1A2CYP3A4CYP2D6BLM | |
| SCHEMBL10390463 | 0.69 | KDM4E (0.80) | KDM4ECYP1A2CYP3A4CYP2D6BLM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1032559-A4 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2005-05-25 | — | — | EP | disclosed |
| US-6479495-B1 | SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION | AVENTIS PHARMACEUTICALS INC. | 2002-11-12 | — | — | US | disclosed |
| EP-1032559-A1 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2000-09-06 | — | — | EP | disclosed |
| WO-1999016746-A1 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-04-08 | — | — | WO | disclosed |