Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.44 |
| ▸ | JAK2 | O60674 | 5/20 | 0.42 |
| ▸ | JAK1 | P23458 | 5/20 | 0.42 |
| ▸ | TYK2 | P29597 | 5/20 | 0.42 |
| ▸ | JAK3 | P52333 | 5/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 3/20 | 0.39 |
| ▸ | CTSE | P14091 | 2/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.38 |
| ▸ | GLS | O94925 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6601775 | 0.76 | JAK2 (0.47) | JAK2JAK1TYK2JAK3ALK | |
| SCHEMBL4651177 | 0.75 | JAK2 (0.45) | BACE1HSP90AA1JAK2JAK1TYK2 | |
| SCHEMBL4651982 | 0.72 | BACE1 (0.38) | BACE1 | |
| SCHEMBL4873225 | 0.70 | BACE1 (1.00) | BACE1CTSDCTSE | |
| SCHEMBL4178829 | 0.70 | BACE1 (0.36) | BACE1HSP90AA1 | |
| SCHEMBL20751115 | 0.63 | CCNC (0.38) | HSP90AA1JAK2JAK1TYK2JAK3 | |
| SCHEMBL13411845 | 0.61 | HSP90AA1 (1.00) | HSP90AA1CCNCCDK8ITGB1ITGA2 | |
| SCHEMBL23308574 | 0.61 | CCNC (0.40) | BACE1HSP90AA1JAK2JAK1TYK2 | |
| SCHEMBL3294238 | 0.60 | — | — | |
| SCHEMBL13675498 | 0.60 | JAK2 (0.69) | JAK2JAK1TYK2 |
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-1968954-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077004-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |