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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 16/20 | 0.52 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | OGFRL1 | Q5TC84 | 13/20 | 0.52 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL3560603 | 0.88 | OPRM1 (0.63) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Citric Acid SCHEMBL4432005 | 0.83 | OPRM1 (0.59) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Citric Acid SCHEMBL381145 | 0.80 | OPRM1 (0.58) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Citric Acid SCHEMBL4765443 | 0.80 | OPRM1 (0.58) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Citric Acid SCHEMBL4763250 | 0.80 | OPRM1 (0.61) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Citric Acid SCHEMBL4438031 | 0.80 | OPRM1 (0.48) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Citric Acid SCHEMBL700111 | 0.79 | OPRM1 (0.49) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL3575847 | 0.79 | OPRM1 (0.59) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL3566314 | 0.78 | OPRM1 (0.68) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL3560574 | 0.78 | OPRM1 (0.60) | 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 4 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 | claimed |
| WO-2008101659-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2008-08-28 | — | — | WO | claimed |
| 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 |