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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 5/20 | 0.62 |
| ▸ | ESR2 known ✓ | Q92731 | 4/20 | 0.62 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.62 |
| ▸ | SHBG | P04278 | 2/20 | 0.62 |
| ▸ | PGR | P06401 | 2/20 | 0.62 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.62 |
| ▸ | AR | P10275 | 2/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.62 |
| ▸ | SNCA | P37840 | 2/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.62 |
| ▸ | UGT1A10 | Q9HAW8 | 1/20 | 0.62 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11210244 | 0.87 | ESR1 (0.80) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Citric Acid SCHEMBL11209330 | 0.86 | ESR1 (0.57) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Estriol SCHEMBL345507 | 0.80 | ESR1 (0.83) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Estriol SCHEMBL5527393 | 0.80 | ESR1 (0.83) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Estriol SCHEMBL6331811 | 0.80 | ESR1 (0.83) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Estriol SCHEMBL7989770 | 0.79 | ESR1 (0.89) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Estriol SCHEMBL28444514 | 0.79 | ESR1 (0.89) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Estriol SCHEMBL2519922 | 0.79 | ESR1 (0.89) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Estriol SCHEMBL23743979 | 0.78 | ESR1 (1.00) | ESR1ESR2LMNAHIF1ACYP2C9 | |
| Estriol SCHEMBL223226 | 0.78 | ESR1 (1.00) | ESR1ESR2LMNAHIF1ACYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4330539-A | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof | AKZO NV (NL) | 1982-05-18 | — | — | US | claimed |
| EP-0033561-B1 | NOVEL 17-AMINO-16-HYDROXY STEROIDS OF THE ANDROSTANE AND OESTRANE SERIES AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | AKZO N.V. (NL) | 1983-05-11 | — | — | EP | disclosed |
| US-4330539-A | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof | AKZO NV (NL) | 1982-05-18 | — | — | US | disclosed |
| EP-0033561-A1 | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof, processes for their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1981-08-12 | — | — | EP | disclosed |