Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.77 |
| ▸ | CTSD | P07339 | 19/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8276355 | 0.92 | BACE1 (0.65) | BACE1CTSDCYP3A4 | |
| SCHEMBL5666988 | 0.92 | BACE1 (0.65) | BACE1CTSDCYP3A4 | |
| SCHEMBL8282540 | 0.92 | BACE1 (0.65) | BACE1CTSDCYP3A4 | |
| SCHEMBL2877502 | 0.91 | BACE1 (0.73) | BACE1CTSD | |
| SCHEMBL8281586 | 0.91 | BACE1 (0.73) | BACE1CTSD | |
| Methylamine SCHEMBL5736229 | 0.90 | BACE1 (0.72) | BACE1CTSD | |
| Hydrochloric Acid SCHEMBL2875561 | 0.90 | BACE1 (0.72) | BACE1CTSD | |
| SCHEMBL5737079 | 0.89 | BACE1 (0.74) | BACE1CTSDCYP3A4 | |
| SCHEMBL8282483 | 0.88 | BACE1 (0.74) | BACE1CTSD | |
| SCHEMBL5736565 | 0.88 | BACE1 (0.64) | 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 1 patent. 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 |