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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 7/20 | 0.60 |
| ▸ | OPRL1 | P41146 | 8/20 | 0.60 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | SPR | P35270 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL4851081 | 0.93 | OPRL1 (0.69) | OPRL1OPRM1NOTUMMTNR1AMTNR1B | |
| SCHEMBL4849043 | 0.86 | OPRL1 (0.56) | OPRL1OPRM1NOTUMMTNR1AMTNR1B | |
| Citric Acid SCHEMBL4858328 | 0.84 | OPRL1 (0.55) | OPRL1OPRM1MTNR1AMAPTSMN1; SMN2 | |
| SCHEMBL4855428 | 0.83 | OPRL1 (0.66) | OPRL1OPRM1MTNR1AMAPTTRPV1 | |
| SCHEMBL4850795 | 0.82 | OPRL1 (0.76) | OPRL1OPRM1NOTUMMTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL4852102 | 0.82 | OPRL1 (0.67) | OPRL1OPRM1MTNR1AMAPTTRPV1 | |
| Hydrochloric Acid SCHEMBL4858864 | 0.81 | OPRL1 (0.76) | OPRL1OPRM1NOTUMMTNR1AMTNR1B | |
| Citric Acid SCHEMBL2782615 | 0.81 | HSD11B1 (0.51) | OPRL1OPRM1 | |
| SCHEMBL6161294 | 0.81 | OPRL1 (0.63) | OPRL1OPRM1NOTUMMTNR1AMTNR1B | |
| SCHEMBL6159000 | 0.80 | OPRL1 (0.62) | OPRL1OPRM1NOTUMMTNR1AMTNR1B |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7348354-B2 | Cyclohexylurea compounds | GRUENENTHAL GMBH (DE) | 2008-03-25 | — | — | US | claimed |
| EP-1560809-B1 | CYCLOHEXYLUREA DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-08-22 | — | — | EP | claimed |
| US-7173045-B2 | 4-aminomethyl-1-aryl-cyclohexylamine compounds | GRUENENTHAL GMBH (DE) | 2007-02-06 | — | — | US | claimed |
| US-20050261358-A1 | antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures | GRUENENTHAL GMBH (DE) | 2005-11-24 | — | — | US | claimed |
| US-20050245593-A1 | 4-Aminomethyl-1-aryl-cyclohexylamine compounds | GRUENENTHAL GMBH (DE) | 2005-11-03 | — | — | US | claimed |
| US-7348354-B2 | Cyclohexylurea compounds | GRUENENTHAL GMBH (DE) | 2008-03-25 | — | — | US | disclosed |
| US-7173045-B2 | 4-aminomethyl-1-aryl-cyclohexylamine compounds | GRUENENTHAL GMBH (DE) | 2007-02-06 | — | — | US | disclosed |
| US-20050261358-A1 | antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures | GRUENENTHAL GMBH (DE) | 2005-11-24 | — | — | US | disclosed |
| US-20050245593-A1 | 4-Aminomethyl-1-aryl-cyclohexylamine compounds | GRUENENTHAL GMBH (DE) | 2005-11-03 | — | — | 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 (2 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-20050245593-A1 | 4-Aminomethyl-1-aryl-cyclohexylamine compounds | HNMT, PNMT, INMT | OPRM1 69/4885OPRL1 378/4885NOTUM 1984/4885 |
| US-20050261358-A1 | antinociceptive agent of opioid-receptor for treating pain; tert-aminecyclohexyl-urea, or -thiourea, or -amide derivatives; 1-(4-dimethylamino-4-phenylcyclohexyl)-3-(3-phenylpropyl)urea hydrochloride; stereoisomers; racemic mixtures | OPRL1, OPRM1, OGFRL1 | OPRM1 2/4885OPRL1 1/4885NOTUM 892/4885 |
“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.