Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 9/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL324784 | 0.86 | CNR2 (0.48) | DRD3CNR2PDK1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL324053 | 0.85 | MEN1 (0.48) | DRD3CNR2PDK1MEN1KMT2A | |
| SCHEMBL15153593 | 0.84 | CNR2 (0.42) | DRD3CNR2PDK1MEN1KMT2A | |
| SCHEMBL323875 | 0.84 | DRD3 (0.55) | DRD3CNR2DRD2SLC6A4 | |
| SCHEMBL322693 | 0.81 | CNR2 (0.60) | DRD3CNR2 | |
| SCHEMBL324578 | 0.78 | DRD3 (0.57) | DRD3CNR2DRD2 | |
| SCHEMBL15485076 | 0.77 | DRD3 (0.53) | DRD3CNR2DRD2SLC6A4 | |
| SCHEMBL2936540 | 0.77 | DRD3 (0.71) | DRD3CNR2DRD2 | |
| SCHEMBL324688 | 0.76 | DRD3 (0.52) | DRD3CNR2DRD2 | |
| SCHEMBL2082396 | 0.76 | DRD3 (0.56) | DRD3CNR2MEN1KMT2A |
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 |