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 | 19/20 | 0.78 |
| ▸ | OPRL1 | P41146 | 18/20 | 0.78 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3411619 | 0.88 | OPRM1 (1.00) | OPRM1OPRL1OPRK1 | |
| SCHEMBL4344934 | 0.85 | OPRM1 (0.55) | OPRM1OPRL1OPRK1KDM4EALDH1A1 | |
| Isopropyl Alcohol SCHEMBL3411102 | 0.83 | OPRM1 (0.90) | OPRM1OPRL1OPRK1 | |
| Citric Acid SCHEMBL3413520 | 0.80 | OPRM1 (0.77) | OPRM1OPRL1OPRK1ALDH1A1TSHR | |
| SCHEMBL22540384 | 0.77 | OPRM1 (0.74) | OPRM1OPRL1OPRK1 | |
| SCHEMBL22538725 | 0.77 | OPRM1 (0.78) | OPRM1OPRL1OPRK1 | |
| SCHEMBL5339483 | 0.75 | OPRL1 (0.48) | OPRM1OPRL1 | |
| SCHEMBL22540379 | 0.74 | OPRM1 (0.73) | OPRM1OPRL1OPRK1 | |
| Citric Acid SCHEMBL5339467 | 0.74 | OPRL1 (0.48) | OPRM1OPRL1OPRK1KDM4EALDH1A1 | |
| Citric Acid SCHEMBL5339484 | 0.74 | OPRL1 (0.48) | OPRM1OPRL1OPRK1KDM4EALDH1A1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140357634-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2014-12-04 | — | — | US | claimed |
| EP-2502907-A1 | Substituted 4-aminocyclohexane derivatives | Grünenthal GmbH (DE) | 2012-09-26 | — | — | EP | claimed |
| US-20120202810-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | GRUNENTHAL GMBH (DE) | 2012-08-09 | — | — | US | claimed |
| US-20090247530-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | GRUNENTHAL GMBH (DE) | 2009-10-01 | — | — | US | claimed |
| EP-2502907-B1 | Substituted 4-aminocyclohexane derivatives | GRUENENTHAL GMBH (DE) | 2018-08-29 | — | — | EP | disclosed |
| EP-2518052-B1 | Substituted 4-aminocyclohexane derivatives | GRUENENTHAL GMBH (DE) | 2017-12-20 | — | — | EP | disclosed |
| US-9580386-B2 | Substituted 4-aminocyclohexane derivatives | GRÜNENTHAL (DE) | 2017-02-28 | — | — | US | disclosed |
| US-9403767-B2 | Substituted 4-aminocyclohexane derivatives | GRUENENTHAL GMBH (DE) | 2016-08-02 | — | — | US | disclosed |
| US-20140357634-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2014-12-04 | — | — | US | disclosed |
| US-8835689-B2 | Substituted 4-aminocyclohexane derivatives | Grünenthal GmbH (DE) | 2014-09-16 | — | — | US | disclosed |
| EP-2260021-B1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | disclosed |
| US-20130197095-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2013-08-01 | — | — | US | disclosed |
| EP-2518052-A1 | Substituted 4-aminocyclohexane derivatives | Grünenthal GmbH (DE) | 2012-10-31 | — | — | EP | disclosed |
| EP-2502907-A1 | Substituted 4-aminocyclohexane derivatives | Grünenthal GmbH (DE) | 2012-09-26 | — | — | EP | disclosed |
| US-20120202810-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | GRUNENTHAL GMBH (DE) | 2012-08-09 | — | — | US | disclosed |
| EP-2260021-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| US-20090247530-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | GRUNENTHAL GMBH (DE) | 2009-10-01 | — | — | US | disclosed |
| WO-2009118168-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | 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-20140357634-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | OPRL1, OPRK1, OPRD1 | OPRM1 4/4885OPRL1 1/4885OPRK1 2/4885 |
| US-20090247530-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | OPRL1, OPRK1, OPRD1 | OPRM1 4/4885OPRL1 1/4885OPRK1 2/4885 |
| US-20120202810-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | OPRL1, OPRK1, OPRD1 | OPRM1 4/4885OPRL1 1/4885OPRK1 2/4885 |
| US-20130197095-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | OPRL1, OPRK1, OPRD1 | OPRM1 4/4885OPRL1 1/4885OPRK1 2/4885 |
“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.