Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193142 | 0.88 | BACE1 (0.53) | BACE1 | |
| SCHEMBL10193676 | 0.85 | BACE1 (0.47) | BACE1APP | |
| SCHEMBL10194097 | 0.74 | BACE1 (0.49) | BACE1APP | |
| SCHEMBL10193192 | 0.74 | BACE1 (0.55) | BACE1 | |
| SCHEMBL10193225 | 0.73 | BACE1 (0.56) | BACE1 | |
| SCHEMBL10155078 | 0.70 | BACE1 (0.83) | BACE1APP | |
| SCHEMBL10193222 | 0.69 | ALDH1A1 (0.51) | BACE1ACKR3 | |
| SCHEMBL10194907 | 0.69 | SMN1; SMN2 (0.38) | ACKR3 | |
| SCHEMBL10192936 | 0.69 | BACE1 (0.53) | BACE1 | |
| SCHEMBL10194085 | 0.68 | ACKR3 (0.50) | BACE1ACKR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2415756-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |