Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tiagabine. 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 | |
|---|---|---|---|---|
| ▸ | SLC6A1 known ✓ | P30531 | 10/20 | 0.98 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.98 |
| ▸ | PDE4A | P27815 | 1/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Tiagabine SCHEMBL1527642 | 0.99 | SLC6A1 (0.98) | SLC6A1PTGS1PDE4AALDH1A1LMNA | |
| Tiagabine SCHEMBL34653 | 0.99 | SLC6A1 (1.00) | SLC6A1PTGS1PDE4ACYP1A2CYP2D6 | |
| Tiagabine SCHEMBL342814 | 0.99 | SLC6A1 (1.00) | SLC6A1PTGS1PDE4ACYP1A2CYP2D6 | |
| Tiagabine SCHEMBL3272861 | 0.99 | SLC6A1 (1.00) | SLC6A1PTGS1PDE4ACYP1A2CYP2D6 | |
| Tiagabine SCHEMBL3958156 | 0.98 | SLC6A1 (0.98) | SLC6A1PTGS1PDE4ACYP1A2CYP2D6 | |
| Tiagabine SCHEMBL41860 | 0.98 | SLC6A1 (1.00) | SLC6A1PTGS1PDE4AALDH1A1LMNA | |
| Tiagabine SCHEMBL5164417 | 0.98 | SLC6A1 (1.00) | SLC6A1PTGS1PDE4AALDH1A1LMNA | |
| Tiagabine SCHEMBL18496408 | 0.98 | SLC6A1 (1.00) | SLC6A1PTGS1PDE4AALDH1A1LMNA | |
| Tiagabine SCHEMBL17493682 | 0.98 | SLC6A1 (1.00) | SLC6A1PTGS1PDE4AALDH1A1LMNA | |
| Tiagabine SCHEMBL3243472 | 0.95 | SLC6A1 (0.90) | SLC6A1PTGS1PDE4AALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0579681-B1 | CRYSTALLINE TIAGABINE HYDROCHLORIDE MONOHYDRATE, ITS PREPARATION AND USE | NOVO NORDISK AS (DK) | 1999-06-02 | — | — | EP | disclosed |
| US-5354760-A | Antiepileptic agents; acid-catalyzed hydrolysis of ethyl R-)-N-(4,4-di(3-methylthien-2-yl)but-3-3nyl)nipecotate hydrochloride; crystallization and precipitation from an aqueous solution to form the monohydrate | NOVO NORDISK A/S (DK) | 1994-10-11 | — | — | US | disclosed |
| US-5354760-A | Antiepileptic agents; acid-catalyzed hydrolysis of ethyl R-)-N-(4,4-di(3-methylthien-2-yl)but-3-3nyl)nipecotate hydrochloride; crystallization and precipitation from an aqueous solution to form the monohydrate | NOVO NORDISK A/S (DK) | 1994-10-11 | — | — | US | disclosed |
| EP-0579681-A1 | CRYSTALLINE TIAGABINE HYDROCHLORIDE MONOHYDRATE, ITS PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1994-01-26 | — | — | EP | disclosed |
| WO-1992017473-A1 | CRYSTALLINE TIAGABINE HYDROCHLORIDE MONOHYDRATE, ITS PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1992-10-15 | — | — | WO | disclosed |