Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 20/20 | 0.49 |
| ▸ | DRD3 | P35462 | 20/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL27571134 | 0.93 | DRD2 (0.46) | DRD2DRD3 | |
| Fumaric Acid SCHEMBL1044942 | 0.93 | DRD2 (0.46) | DRD2DRD3 | |
| Abt-925 SCHEMBL1043144 | 0.85 | DRD2 (0.67) | DRD2DRD3 | |
| Abt-925 SCHEMBL29462266 | 0.85 | DRD2 (0.67) | DRD2DRD3 | |
| SCHEMBL4608279 | 0.81 | DRD2 (0.53) | DRD2DRD3HTR1AHTR2A | |
| Abt-925 SCHEMBL1078007 | 0.80 | DRD2 (0.62) | DRD2DRD3 | |
| Abt-925 SCHEMBL1078006 | 0.80 | DRD2 (0.62) | DRD2DRD3 | |
| SCHEMBL12959304 | 0.79 | DRD2 (0.49) | DRD2DRD3 | |
| Thiouracil SCHEMBL2437212 | 0.79 | DRD2 (0.39) | DRD2DRD3 | |
| Fumaric Acid SCHEMBL7658673 | 0.77 | DRD2 (0.59) | DRD2DRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1003728-B1 | 2-(3-(4-(2-t-Butyl-6-trifluoromethylpyrimidin-4-yl)piperazin-1-yl)propylmercapto)pyrimidin-4-ol-fumarate | ABBOTT GMBH & CO KG (DE) | 2011-09-21 | — | — | EP | disclosed |
| CN-1267286-A | 2-{3-[4-(2-t-butyl-6-trifluoromethylpyridin-4-yl) piperazin-1-yl] propylmercapto} pyrimidin-4-ol-fumarate | BASF AG (DE) | 2000-09-20 | — | — | CN | disclosed |
| EP-1003728-A1 | 2- 3- 4-(2-T-BUTYL-6- TRIFLUOROMETHYLPYRIDIN-4-YL) PIPERAZIN-1-YL] PROPYLMERCAPTO PYRIMIDIN-4-OL-FUMARATE | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999009015-A1 | 2-{3-[4-(2-T-BUTYL-6- TRIFLUOROMETHYLPYRIDIN-4-YL) PIPERAZIN-1-YL] PROPYLMERCAPTO} PYRIMIDIN-4-OL-FUMARATE | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-25 | — | — | WO | disclosed |