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 | 6/20 | 0.33 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 10/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.33 |
| ▸ | OGFRL1 | Q5TC84 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
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 SCHEMBL2966707 | 0.93 | OPRK1 (0.31) | ALDH1A1SMN1; SMN2OPRK1OPRD1 | |
| Citric Acid SCHEMBL2967035 | 0.93 | LMNA (0.39) | ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1 | |
| Citric Acid SCHEMBL2974669 | 0.93 | OPRM1 (0.38) | OPRK1OPRD1OPRM1OPRL1OGFRL1 | |
| Citric Acid SCHEMBL2970032 | 0.91 | KDM4E (0.32) | KDM4ELMNA | |
| SCHEMBL2970393 | 0.90 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1 | |
| Citric Acid SCHEMBL2973300 | 0.83 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1 | |
| SCHEMBL2965781 | 0.83 | LMNA (0.46) | ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1 | |
| SCHEMBL13202826 | 0.82 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1 | |
| SCHEMBL2967057 | 0.81 | OPRM1 (0.45) | ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1 | |
| SCHEMBL2960677 | 0.79 | OPRM1 (0.32) | ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776848-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2010-08-17 | — | — | US | claimed |
| EP-1778680-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2008-10-08 | — | — | EP | claimed |
| US-20070213351-A1 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2007-09-13 | — | — | US | claimed |
| US-7776848-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2010-08-17 | — | — | US | disclosed |
| EP-1778680-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2008-10-08 | — | — | EP | disclosed |
| US-20070213351-A1 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2007-09-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070213351-A1 | Spirocyclic cyclohexane compounds | PKD1, PKD2, NR3C2 | OPRM1 768/4885SIGMAR1 1019/4885ALDH1A1 952/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.