Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Trigonelline. 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 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.96 |
| ▸ | NNMT | P40261 | 1/20 | 0.63 |
| ▸ | APOBEC3A | P31941 | 3/20 | 0.51 |
| ▸ | APOBEC3G | Q9HC16 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| Trigonelline SCHEMBL195666 | 0.98 | USP2 (1.00) | USP2NNMTAPOBEC3AAPOBEC3GCA2 | |
| Trigonelline SCHEMBL29561369 | 0.98 | USP2 (1.00) | USP2NNMTAPOBEC3AAPOBEC3GCA2 | |
| Trigonelline SCHEMBL31124498 | 0.96 | USP2 (0.96) | USP2NNMTAPOBEC3AAPOBEC3GCA2 | |
| Trigonelline SCHEMBL468365 | 0.96 | USP2 (0.96) | USP2NNMTAPOBEC3AAPOBEC3GCA2 | |
| Trigonelline SCHEMBL1022662 | 0.96 | USP2 (0.96) | USP2NNMTAPOBEC3AAPOBEC3GCA2 | |
| Trigonelline SCHEMBL5016191 | 0.92 | USP2 (0.89) | USP2NNMTAPOBEC3AAPOBEC3GCA2 | |
| Trigonelline SCHEMBL2178281 | 0.91 | USP2 (0.86) | USP2NNMTAPOBEC3AAPOBEC3GCA2 | |
| Trigonelline SCHEMBL21177574 | 0.80 | USP2 (0.67) | USP2NNMTAPOBEC3AAPOBEC3GCA2 | |
| SCHEMBL700182 | 0.79 | NNMT (0.68) | USP2NNMTAPOBEC3AAPOBEC3GPABPC1 | |
| Trigonelline SCHEMBL679317 | 0.79 | NNMT (0.68) | USP2NNMTAPOBEC3AAPOBEC3GPABPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110288014-A1 | METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND PREVENTION | TUM Technische Universitat Munchen (DE) | 2011-11-24 | — | — | US | disclosed |
| EP-2349264-A1 | PYRIMIDINIUM DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF DIABETES | Technische Universität München (DE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010055170-A1 | PYRIMIDINIUM DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF DIABETES | Technische Universität München (DE) | 2010-05-20 | — | — | WO | disclosed |
| WO-1993003721-A1 | CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION | WARNER-LAMBERT COMPANY (US) | 1993-03-04 | — | — | WO | disclosed |
| US-4764598-A | Precursors to radiopharmaceutical agents for tissue imaging | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF ENERGY (US) | 1988-08-16 | — | — | 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-20110288014-A1 | METHODS AND COMPOSITIONS FOR DIABETES TREATMENT AND PREVENTION | SLC5A2, IAPP, SLC5A1 | ACHE 334/4885USP2 2381/4885NNMT 338/4885 |
“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.