Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Trigonellamide. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.96 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | APOBEC3A | P31941 | 3/20 | 0.51 |
| ▸ | APOBEC3G | Q9HC16 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Trigonellamide SCHEMBL132244 | 0.98 | NNMT (1.00) | NNMTUSP2APOBEC3AAPOBEC3GL3MBTL1 | |
| Trigonellamide SCHEMBL15903434 | 0.96 | NNMT (0.96) | NNMTUSP2APOBEC3AAPOBEC3GL3MBTL1 | |
| Trigonellamide SCHEMBL5145685 | 0.96 | NNMT (0.96) | NNMTUSP2APOBEC3AAPOBEC3GL3MBTL1 | |
| Trigonellamide SCHEMBL16295415 | 0.89 | NNMT (0.83) | NNMTUSP2APOBEC3AAPOBEC3GL3MBTL1 | |
| Iodide SCHEMBL3064717 | 0.79 | NNMT (0.62) | NNMTUSP2APOBEC3AAPOBEC3GMAPT | |
| SCHEMBL700182 | 0.79 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GTSHR | |
| Trigonelline SCHEMBL679317 | 0.79 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GTSHR | |
| Trigonelline SCHEMBL29581532 | 0.79 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GTSHR | |
| Iodide SCHEMBL8724842 | 0.78 | NNMT (0.61) | NNMTUSP2APOBEC3AAPOBEC3GTSHR | |
| Trigonelline SCHEMBL5310723 | 0.78 | NNMT (0.66) | NNMTUSP2APOBEC3AAPOBEC3GTSHR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10473641-B2 | Predicting human developmental toxicity of pharmaceuticals using human stem-like cells and metabolomics | STEMINA BIOMARKER DISCOVERY, INC. (US) | 2019-11-12 | — | — | US | disclosed |
| EP-2948775-B1 | COMPOSITIONS AND METHODS FOR DETECTING NEOPLASIA | US HEALTH (US) | 2018-10-03 | — | — | EP | disclosed |
| EP-2550365-B1 | PREDICTING HUMAN DEVELOPMENTAL TOXICITY OF PHARMACEUTICALS USING HUMAN STEM-LIKE CELLS AND METABOLOMICS | STEMINA BIOMARKER DISCOVERY INC (US) | 2018-07-04 | — | — | EP | disclosed |
| US-20150344969-A1 | COMPOSITIONS AND METHODS FOR DETECTING NEOPLASIA | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES | 2015-12-03 | — | — | US | disclosed |
| US-20140273069-A1 | PREDICTING HUMAN DEVELOPMENTAL TOXICITY OF PHARMACEUTICALS USING HUMAN STEM-LIKE CELLS AND METABOLOMICS | STEMINA BIOMARKER DISCOVERY, INC. (US) | 2014-09-18 | — | — | US | disclosed |
| US-8703424-B2 | Predicting human developmental toxicity of pharmaceuticals using human stem-like cells and metabolomics | STEMINA BIOMARKER DISCOVERY, INC. (US) | 2014-04-22 | — | — | US | disclosed |
| EP-1963270-B1 | QUATERNARY 3 -AMIDO, N-METHYLPYRIDINIUM SALTS AS ANTI -INFLAMMATORY AGENTS | CERECON AG (CH) | 2009-08-05 | — | — | EP | disclosed |
| US-20080249140-A1 | Quaternary 3 -Amido, N-Methylpyridinium Salts as Anti-Inflammatory Agents | GOSTELI JACQUES | 2008-10-09 | — | — | US | disclosed |
| EP-1963270-A1 | QUATERNARY 3 -AMIDO, N-METHYLPYRIDINIUM SALTS AS ANTI -INFLAMMATORY AGENTS | Cerecon AG (CH) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007065281-A1 | QUATERNARY 3 -AMIDO, N-METHYLPYRIDINIUM SALTS AS ANTI -INFLAMMATORY AGENTS | CERECON AG (CH) | 2007-06-14 | — | — | 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 (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-20080249140-A1 | Quaternary 3 -Amido, N-Methylpyridinium Salts as Anti-Inflammatory Agents | NOD1, NNMT, B3GNT2 | ACHE 396/4885NNMT 2/4885USP2 4744/4885 |
“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.