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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 9/20 | 0.56 |
| ▸ | OGFRL1 | Q5TC84 | 7/20 | 0.56 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 5/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3563012 | 0.88 | OPRM1 (0.67) | OPRM1OGFRL1OPRL1KMT2ALMNA | |
| SCHEMBL3572216 | 0.87 | OPRM1 (0.66) | OPRM1OGFRL1OPRL1KMT2ALMNA | |
| Citric Acid SCHEMBL4442424 | 0.79 | OPRM1 (0.51) | OPRM1OGFRL1OPRL1KMT2ALMNA | |
| SCHEMBL733564 | 0.78 | OPRM1 (0.71) | OPRM1OGFRL1OPRL1KMT2ALMNA | |
| Citric Acid SCHEMBL4436232 | 0.75 | OPRM1 (0.52) | OPRM1OGFRL1OPRL1KMT2ALMNA | |
| SCHEMBL1304962 | 0.75 | OPRM1 (0.80) | OPRM1OGFRL1OPRL1KMT2ALMNA | |
| Citric Acid SCHEMBL2976393 | 0.75 | OPRM1 (0.50) | OPRM1OGFRL1OPRL1KMT2ALMNA | |
| Citric Acid SCHEMBL1304819 | 0.74 | OPRM1 (0.76) | OPRM1OGFRL1OPRL1KMT2AOPRD1 | |
| Citric Acid SCHEMBL700105 | 0.74 | OPRM1 (0.49) | OPRM1OGFRL1OPRL1KMT2ALMNA | |
| Citric Acid SCHEMBL4432005 | 0.74 | OPRM1 (0.59) | OPRM1OGFRL1OPRL1KMT2ALMNA |
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-2121689-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008101659-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2008-08-28 | — | — | WO | disclosed |