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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 20/20 | 0.47 |
| ▸ | OGFRL1 | Q5TC84 | 13/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 11/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.47 |
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 SCHEMBL4047655 | 0.94 | OPRM1 (0.53) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4047154 | 0.91 | OPRM1 (0.56) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4053432 | 0.85 | OPRM1 (0.59) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4059045 | 0.84 | OPRM1 (0.62) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL4046708 | 0.81 | OPRM1 (0.68) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Cebranopadol SCHEMBL29597164 | 0.75 | OPRM1 (0.77) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL4055133 | 0.74 | OPRM1 (0.73) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4049406 | 0.74 | OPRM1 (0.46) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4057296 | 0.74 | OPRM1 (0.46) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Citric Acid SCHEMBL1304800 | 0.74 | OPRM1 (0.79) | OPRM1OGFRL1OPRL1OPRD1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1697379-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-03-25 | — | — | EP | claimed |