Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9481275 | 0.63 | CYP2A6 (0.39) | — | |
| SCHEMBL22336047 | 0.61 | DYRK1A (0.43) | DYRK1AAXLMKNK1MKNK2ADORA2A | |
| SCHEMBL1679899 | 0.58 | — | — | |
| SCHEMBL2159810 | 0.57 | — | — | |
| SCHEMBL22400454 | 0.55 | PDPK1 (0.41) | DYRK1AAXLMKNK1MKNK2ADORA2A | |
| SCHEMBL55563 | 0.55 | ADORA2A (0.58) | DYRK1AAXLMKNK1MKNK2ADORA2A | |
| SCHEMBL29945213 | 0.55 | DYRK1A (0.50) | DYRK1AAXLMKNK1MKNK2PDPK1 | |
| SCHEMBL13778445 | 0.55 | AXL (0.48) | DYRK1AAXLMKNK1MKNK2ADORA2A | |
| SCHEMBL370633 | 0.55 | DYRK1A (0.53) | DYRK1AAXLMKNK1MKNK2ADORA2A | |
| SCHEMBL2004482 | 0.54 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010082044-A1 | UNSATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2010-07-22 | — | — | WO | disclosed |