Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.85 |
| ▸ | CTSD | P07339 | 18/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL5666895 | 1.00 | BACE1 (0.85) | BACE1CTSDCYP3A4 | |
| SCHEMBL8282564 | 0.95 | BACE1 (0.88) | BACE1CTSDCYP3A4 | |
| SCHEMBL5666696 | 0.95 | BACE1 (0.88) | BACE1CTSDCYP3A4 | |
| SCHEMBL5666642 | 0.94 | BACE1 (0.85) | BACE1CTSDCYP3A4 | |
| SCHEMBL5666639 | 0.94 | BACE1 (0.85) | BACE1CTSDCYP3A4 | |
| SCHEMBL5667226 | 0.94 | BACE1 (0.85) | BACE1CTSDCYP3A4 | |
| SCHEMBL5668720 | 0.93 | BACE1 (0.81) | BACE1CTSD | |
| SCHEMBL8282578 | 0.93 | BACE1 (0.81) | BACE1CTSD | |
| SCHEMBL6040948 | 0.93 | BACE1 (0.84) | BACE1CTSD | |
| Hydroxyamine SCHEMBL5666250 | 0.92 | BACE1 (0.82) | BACE1CTSD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005087215-A1 | SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| WO-2005070407-A1 | METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS | ELAN PHARMACEUTICALS, INC. (US) | 2005-08-04 | — | — | WO | disclosed |