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 | 1/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.61 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.61 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.40 |
| ▸ | GABRQ | Q9UN88 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7364790 | 0.81 | IMPDH2 (0.77) | IMPDH2IMPDH1GABRPGABRDGABRA1 | |
| SCHEMBL30389000 | 0.78 | IMPDH2 (1.00) | IMPDH2IMPDH1GABRPGABRDGABRA1 | |
| SCHEMBL91366 | 0.78 | IMPDH2 (1.00) | IMPDH2IMPDH1GABRPGABRDGABRA1 | |
| Maleic Acid SCHEMBL28775310 | 0.78 | IMPDH2 (0.73) | IMPDH2IMPDH1GABRPGABRDGABRA1 | |
| Fumaric Acid SCHEMBL28775322 | 0.78 | IMPDH2 (0.73) | IMPDH2IMPDH1GABRPGABRDGABRA1 | |
| Methyl Alcohol SCHEMBL27844152 | 0.77 | IMPDH2 (0.89) | IMPDH2IMPDH1GABRPGABRDGABRA1 | |
| SCHEMBL28194905 | 0.77 | IMPDH2 (0.96) | IMPDH2IMPDH1GABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL27803164 | 0.77 | IMPDH2 (0.96) | IMPDH2IMPDH1GABRPGABRDGABRA1 | |
| Citric Acid SCHEMBL4763398 | 0.76 | TRPA1 (0.53) | CTNNB1WNT3AALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL27734695 | 0.74 | IMPDH2 (0.71) | IMPDH2IMPDH1GABRPGABRDGABRA1 |
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-101772497-A | New crystalline forms of 2 -hydroxy- 3- [5- (morpholin- 4- ylmethyl) pyridin-2-yl] ih- indole- 5 -carbonitrile citrate | ASTRAZENECA AB | 2010-07-07 | — | — | CN | claimed |
| US-20100267720-A1 | Crystalline Forms of 2-Hydroxy-3- [5- (Morpholin- 4- Ylmethyl) Pyridin-2-YL] IH- Indole- 5 -Carbonitrile Citrate | ASTRAZENECA AB (SE) | 2010-10-21 | — | — | US | disclosed |
| CN-101772497-A | New crystalline forms of 2 -hydroxy- 3- [5- (morpholin- 4- ylmethyl) pyridin-2-yl] ih- indole- 5 -carbonitrile citrate | ASTRAZENECA AB | 2010-07-07 | — | — | CN | disclosed |
| CN-101772497-A | New crystalline forms of 2 -hydroxy- 3- [5- (morpholin- 4- ylmethyl) pyridin-2-yl] ih- indole- 5 -carbonitrile citrate | ASTRAZENECA AB | 2010-07-07 | — | — | CN | disclosed |
| CN-101679353-A | A new process for the manufacturing of the compound 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]1h-indole-5-carbonitrile 701 | ASTRAZENECA AB | 2010-03-24 | — | — | CN | disclosed |
| WO-2007089193-A1 | A PROCESS FOR PREPARING 2-HYDROXY-3- [5- (MORPHOLIN-4-YLMETHYL)PYRIDIN-2-YL] LH-INDOLE-5-CARBONITRILE AS A FREE BASE OR SALTS THEREOF | ASTRAZENECA AB (SE) | 2007-08-09 | — | — | WO | disclosed |