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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA3 | P32297 | 5/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.43 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7409336 | 0.85 | CHRNA3 (0.65) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| Citric Acid SCHEMBL7413086 | 0.85 | CHRNA3 (0.50) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| SCHEMBL7481577 | 0.73 | ALOX5AP (0.44) | CHRNA3 | |
| Citric Acid SCHEMBL6585693 | 0.70 | CHRNA3 (0.46) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| SCHEMBL7414235 | 0.70 | CHRNA3 (0.70) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| SCHEMBL7410490 | 0.68 | CHRNA3 (0.84) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| SCHEMBL8437376 | 0.68 | CHRNA3 (0.84) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| SCHEMBL7911829 | 0.67 | CHRNA3 (1.00) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| Hydrochloric Acid SCHEMBL7405817 | 0.67 | CHRNB2 (0.82) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 | |
| SCHEMBL7407318 | 0.67 | CHRNA3 (1.00) | CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0950057-B1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | ABBOTT LAB (US) | 2002-11-13 | — | — | EP | disclosed |
| US-6403575-B1 | ANTI-INFLAMMATORIES | ABBOTT LABORATORIES | 2002-06-11 | — | — | US | disclosed |
| US-6133253-A | NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES | ABBOTT LABORATORIES (US) | 2000-10-17 | — | — | US | disclosed |