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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 5/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 3/20 | 0.34 |
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 SCHEMBL4698211 | 0.96 | HSD11B1 (0.44) | HSD11B1OPRL1OPRM1CHRM4KDM4E | |
| SCHEMBL4698781 | 0.93 | HSD11B1 (0.49) | HSD11B1OPRL1OPRM1CHRM4KCNH2 | |
| Citric Acid SCHEMBL4702260 | 0.92 | HSD11B1 (0.47) | HSD11B1OPRL1OPRM1 | |
| Citric Acid SCHEMBL4703734 | 0.92 | CHRM4 (0.41) | HSD11B1OPRL1OPRM1CHRM4KCNH2 | |
| Citric Acid SCHEMBL2779516 | 0.89 | HSD11B1 (0.47) | HSD11B1OPRL1OPRM1CHRM4KCNH2 | |
| SCHEMBL4700555 | 0.88 | HSD11B1 (0.50) | HSD11B1OPRL1OPRM1CHRM4KCNH2 | |
| Citric Acid SCHEMBL2783385 | 0.87 | HSD11B1 (0.51) | HSD11B1OPRL1OPRM1CHRM4KDM4E | |
| SCHEMBL4702254 | 0.84 | HSD11B1 (0.53) | HSD11B1OPRL1OPRM1 | |
| SCHEMBL4702244 | 0.84 | HSD11B1 (0.47) | HSD11B1OPRL1OPRM1CHRM4KCNH2 | |
| Citric Acid SCHEMBL4703004 | 0.84 | OPRL1 (0.41) | HSD11B1OPRL1OPRM1CHRM4CCR2 |
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-1560823-B1 | 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS | GRUENENTHAL GMBH (DE) | 2008-07-09 | — | — | EP | disclosed |
| EP-1560823-A1 | 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004043949-A1 | 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2004-05-27 | — | — | WO | disclosed |