Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 20/20 | 0.61 |
| ▸ | BACE1 | P56817 | 20/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL309740 | 0.89 | CTSD (0.48) | CTSDBACE1CYP3A4 | |
| SCHEMBL4256055 | 0.87 | CTSD (0.59) | CTSDBACE1CYP3A4 | |
| SCHEMBL309085 | 0.86 | CTSD (0.58) | CTSDBACE1 | |
| SCHEMBL309571 | 0.86 | CTSD (0.48) | CTSDBACE1CYP3A4 | |
| SCHEMBL4260201 | 0.86 | CTSD (0.61) | CTSDBACE1CYP3A4 | |
| SCHEMBL310220 | 0.84 | CTSD (0.46) | CTSDBACE1CYP3A4 | |
| SCHEMBL4257146 | 0.84 | CTSD (0.46) | CTSDBACE1CYP3A4 | |
| SCHEMBL308670 | 0.84 | BACE1 (0.57) | CTSDBACE1 | |
| SCHEMBL4255806 | 0.83 | CTSD (0.49) | CTSDBACE1CYP3A4 | |
| SCHEMBL3226818 | 0.83 | CTSD (0.63) | CTSDBACE1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8093406-B2 | Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors | NOVARTIS AG (CH) | 2012-01-10 | — | — | US | disclosed |
| EP-2303857-A1 | CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2011-04-06 | — | — | EP | disclosed |