Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 9/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15485076 | 0.89 | DRD3 (0.53) | DRD3CNR2SLC6A4DRD2 | |
| SCHEMBL322693 | 0.86 | CNR2 (0.60) | DRD3CNR2 | |
| SCHEMBL324578 | 0.85 | DRD3 (0.57) | DRD3CNR2DRD2 | |
| SCHEMBL322825 | 0.85 | CNR2 (0.54) | DRD3CNR2SLC6A4CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL324550 | 0.84 | CNR2 (0.53) | DRD3CNR2SLC6A4CYP2D6SLC6A2 | |
| SCHEMBL322812 | 0.84 | DRD3 (0.52) | DRD3CNR2SLC6A4DRD2 | |
| SCHEMBL324317 | 0.83 | DRD3 (0.55) | DRD3CNR2DRD2 | |
| SCHEMBL15153771 | 0.83 | CNR2 (0.47) | DRD3CNR2SLC6A4CYP2D6SLC6A2 | |
| SCHEMBL324286 | 0.82 | DRD3 (0.51) | DRD3CNR2 | |
| SCHEMBL2936540 | 0.80 | DRD3 (0.71) | DRD3CNR2DRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590954-A1 | BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004375-A1 | BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |