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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.70 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL630485 | 0.84 | PARP1 (1.00) | PARP1DHODH | |
| Hydrochloric Acid SCHEMBL7358627 | 0.82 | PARP1 (0.97) | PARP1DHODH | |
| Citric Acid SCHEMBL7363553 | 0.80 | PARP1 (0.42) | PARP1ALDH1A1 | |
| Fumaric Acid SCHEMBL7358387 | 0.79 | PARP1 (0.82) | PARP1DHODHALDH1A1 | |
| Citric Acid SCHEMBL28387139 | 0.75 | CTNNB1 (0.44) | PARP1ALDH1A1 | |
| SCHEMBL453514 | 0.73 | PARP1 (0.72) | PARP1DHODHRXFP1ALDH1A1 | |
| SCHEMBL9218238 | 0.72 | PARP1 (0.70) | PARP1DHODHRXFP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2129546 | 0.72 | PARP1 (0.70) | PARP1DHODHRXFP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL22165594 | 0.72 | PARP1 (0.70) | PARP1DHODHRXFP1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL20482044 | 0.72 | PARP1 (0.60) | PARP1DHODHRXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1107966-A2 | OXO-PYRIDOIMIDAZOLE-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000010973-A2 | OXO-PYRIDOIMIDAZOLE-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2000-03-02 | — | — | WO | disclosed |