Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.54 |
| ▸ | CTSD | P07339 | 9/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649836 | 1.00 | BACE1 (0.54) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL4218395 | 0.95 | BACE1 (0.55) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3510776 | 0.95 | BACE1 (0.53) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL4208702 | 0.94 | BACE1 (0.54) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3509021 | 0.94 | BACE1 (0.55) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3509965 | 0.93 | BACE1 (0.52) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3508611 | 0.93 | BACE1 (0.54) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3508613 | 0.93 | BACE1 (0.54) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3511463 | 0.93 | BACE1 (0.53) | BACE1CTSDBACE2CYP3A4 | |
| SCHEMBL3508686 | 0.93 | BACE1 (0.53) | BACE1CTSDBACE2CYP3A4 |
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-2178837-A2 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |