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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.45 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 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 SCHEMBL8917073 | 1.00 | ALDH1A1 (0.68) | ALDH1A1KDM4ELMNACYP2D6MEN1 | |
| Citric Acid SCHEMBL9431044 | 0.98 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNACYP2D6MEN1 | |
| Tetradecane SCHEMBL23322531 | 0.93 | ALDH1A1 (0.65) | ALDH1A1MEN1KMT2AHSPD1BLM | |
| Citric Acid SCHEMBL16149368 | 0.93 | ALDH1A1 (0.65) | ALDH1A1MEN1KMT2AHSPD1BLM | |
| Citric Acid SCHEMBL28044779 | 0.93 | ALDH1A1 (0.71) | ALDH1A1KDM4ELMNACYP2D6MEN1 | |
| Citric Acid SCHEMBL10687560 | 0.91 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AHSPD1BLM | |
| Citric Acid SCHEMBL875432 | 0.91 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AHSPD1BLM | |
| Citric Acid SCHEMBL28027037 | 0.91 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AHSPD1BLM | |
| Citric Acid SCHEMBL27042357 | 0.91 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AHSPD1BLM | |
| Citric Acid SCHEMBL27642067 | 0.91 | ALDH1A1 (0.68) | ALDH1A1MEN1KMT2AHSPD1BLM |
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 |
|---|---|---|---|---|---|---|---|
| US-5618938-A | Process for preparing stereo isomers of neurokinin receptor antagonists | SANOFI (FR) | 1997-04-08 | — | — | US | disclosed |