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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 14/20 | 0.59 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.59 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.59 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 SCHEMBL4700323 | 0.91 | OPRM1 (0.60) | OPRM1KCNH2OPRK1OPRD1 | |
| Citric Acid SCHEMBL4755341 | 0.90 | OPRM1 (0.57) | OPRM1KCNH2OPRK1OPRD1 | |
| SCHEMBL4698334 | 0.89 | OPRM1 (0.69) | OPRM1KCNH2OPRK1OPRD1 | |
| SCHEMBL4699399 | 0.87 | OPRM1 (0.56) | OPRM1KCNH2OPRK1OPRD1LMNA | |
| SCHEMBL4755342 | 0.87 | OPRM1 (0.65) | OPRM1KCNH2OPRK1OPRD1KMT2A | |
| Citric Acid SCHEMBL4699202 | 0.86 | OPRM1 (0.81) | OPRM1KCNH2OPRK1OPRD1 | |
| Citric Acid SCHEMBL5458523 | 0.83 | OPRM1 (0.75) | OPRM1KCNH2OPRK1OPRD1 | |
| SCHEMBL4700091 | 0.82 | OPRM1 (0.60) | OPRM1KCNH2OPRK1OPRD1 | |
| SCHEMBL4700297 | 0.80 | OPRM1 (0.68) | OPRM1KCNH2OPRK1OPRD1 | |
| SCHEMBL6484166 | 0.79 | OPRM1 (0.47) | OPRM1KCNH2OPRK1OPRD1LMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030087898-A1 | 3-azabicyclo[3.1.0]hexane derivatives | PFIZER INC. | 2003-05-08 | — | — | US | claimed |
| EP-1440059-B1 | 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS | PFIZER PROD INC (US) | 2008-04-16 | — | — | EP | disclosed |
| US-20070054950-A1 | 3-Azabicyclo[3.1.0]hexane derivatives | PFIZER INC. | 2007-03-08 | — | — | US | disclosed |
| US-7153976-B2 | Purification process for an azabicyclo[3.1.0]hexane compound | PFIZER INC. (US) | 2006-12-26 | — | — | US | disclosed |
| EP-1678136-A1 | PROCESS FOR PREPARING AN AZABICYCLO[3.1.0]HEXANE COMPOUND | Pfizer Products Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| US-7049335-B2 | 3-azabicyclo[3.1.0]hexane derivatives | PFIZER INC. (US) | 2006-05-23 | — | — | US | disclosed |
| US-20050171178-A1 | 3-Azabicyclo[3.1.0]hexane derivatives | PFIZER INC | 2005-08-04 | — | — | US | disclosed |
| WO-2005033080-A1 | PROCESS FOR PREPARING AN AZABICYCLO[3.1.0]HEXANE COMPOUND | PFIZER PRODUCTS INC. (US) | 2005-04-14 | — | — | WO | disclosed |
| US-20050075387-A1 | Process for preparing an azabicyclo[3.1.0] hexane compound | PFIZER INC | 2005-04-07 | — | — | US | disclosed |
| EP-1440059-A1 | 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS | Pfizer Products Inc. (US) | 2004-07-28 | — | — | EP | disclosed |
| US-20030087898-A1 | 3-azabicyclo[3.1.0]hexane derivatives | PFIZER INC. | 2003-05-08 | — | — | US | disclosed |
| WO-2003035622-A1 | 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2003-05-01 | — | — | WO | 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 (4 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-20030087898-A1 | 3-azabicyclo[3.1.0]hexane derivatives | OPRD1, OPRM1, OPRK1 | OPRM1 2/4885MEN1 3855/4885HTR7 239/4885 |
| US-20050171178-A1 | 3-Azabicyclo[3.1.0]hexane derivatives | OPRD1, OPRM1, OPRK1 | OPRM1 2/4885MEN1 3671/4885HTR7 290/4885 |
| US-20070054950-A1 | 3-Azabicyclo[3.1.0]hexane derivatives | OPRD1, OPRM1, OPRK1 | OPRM1 2/4885MEN1 3509/4885HTR7 311/4885 |
| US-20050075387-A1 | Process for preparing an azabicyclo[3.1.0] hexane compound | AZI2, CYP1B1, CYP4B1 | OPRM1 2847/4885MEN1 671/4885HTR7 1910/4885 |
“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.