Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
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 | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 1/20 | 0.66 |
| ▸ | USP2 | O75604 | 1/20 | 0.66 |
| ▸ | APOBEC3A | P31941 | 3/20 | 0.57 |
| ▸ | APOBEC3G | Q9HC16 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
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 SCHEMBL29581532 | 0.98 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| Trigonelline SCHEMBL679317 | 0.98 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| Trigonelline SCHEMBL15361649 | 0.96 | NNMT (0.66) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| Trigonelline SCHEMBL5310723 | 0.96 | NNMT (0.66) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| Trigonelline SCHEMBL26615275 | 0.92 | NNMT (0.61) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| Trigonelline SCHEMBL11786615 | 0.84 | USP2 (0.57) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| Trigonelline SCHEMBL8016829 | 0.82 | USP2 (0.58) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| SCHEMBL10256967 | 0.82 | NNMT (0.63) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| SCHEMBL700182 | 0.81 | NNMT (0.68) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 | |
| Trigonelline SCHEMBL11771367 | 0.81 | USP2 (0.53) | NNMTUSP2APOBEC3AAPOBEC3GMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117836631-A | Methods of using trigonelline as a biomarker to detect and/or quantify mood disorders and/or improvement in mood disorder status and improved methods and compositions thereof | 雀巢产品有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-114080222-A | Compositions and methods for using trigonelline to produce intracellular nicotinamide adenine dinucleotide (NAD +) for treating or preventing physiological disorders or conditions | 雀巢产品有限公司 | 2022-02-22 | — | — | CN | disclosed |
| EP-1727518-B1 | USE OF AGENTS FOR THE COSMETIC TREATMENT OF HUMAN HAIR | WELLA AG (DE) | 2008-07-16 | — | — | EP | disclosed |
| US-20070160553-A1 | Use of agents for the cosmetic treatment of keratin-containing material | WELLA AG (DE) | 2007-07-12 | — | — | US | disclosed |
| EP-1727518-A1 | USE OF AGENTS FOR THE COSMETIC TREATMENT OF MATERIAL CONTAINING KERATIN | Wella Aktiengesellschaft (DE) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005097047-A1 | USE OF AGENTS FOR THE COSMETIC TREATMENT OF MATERIAL CONTAINING KERATIN | WELLA AKTIENGESELLSCHAFT (DE) | 2005-10-20 | — | — | WO | disclosed |
| US-5338738-A | Cerebral function enhancers: acyclic amide derivatives of pyrimidinylpiperidines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-08-16 | — | — | US | disclosed |
| EP-0469007-B1 | PREPARATION FOR CARE OF NAILS, SKIN AND HAIR | STüCKLER, Erwin (DE) | 1993-07-07 | — | — | EP | disclosed |
| US-5133958-A | AGENT FOR NAIL, SKIN AND HAIR CARE | STUCKLER ERWIN (DE) | 1992-07-28 | — | — | 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-20070160553-A1 | Use of agents for the cosmetic treatment of keratin-containing material | KRT18, DSG1, S100A4 | NNMT 1205/4885USP2 3323/4885APOBEC3A 4480/4885 |
“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.