Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4651945 | 0.70 | BACE1 (0.53) | BACE1HSP90AA1 | |
| SCHEMBL14803908 | 0.61 | — | — | |
| Tetrahydrofuran SCHEMBL21484246 | 0.60 | ALDH1A1 (0.50) | — | |
| SCHEMBL19094346 | 0.57 | — | — | |
| SCHEMBL18800937 | 0.55 | PARP1 (0.38) | HSP90AA1 | |
| SCHEMBL11696421 | 0.55 | ALDH1A1 (0.42) | — | |
| SCHEMBL5945183 | 0.55 | — | — | |
| SCHEMBL8217464 | 0.55 | — | — | |
| SCHEMBL12514 | 0.54 | — | — | |
| Ammonia Solution, Strong SCHEMBL524134 | 0.52 | — | — |
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-2046761-A2 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008009750-A2 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2008-01-24 | — | — | WO | disclosed |