Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 14/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193828 | 0.87 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ABACE1BACE2 | |
| SCHEMBL10194102 | 0.87 | SMN1; SMN2 (0.42) | SMN1; SMN2NPC1RAB9ABACE1 | |
| SCHEMBL10193152 | 0.87 | BACE1 (0.50) | BACE1BACE2CYP2D6 | |
| SCHEMBL10193209 | 0.85 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL10155648 | 0.76 | SLC9A1 (0.34) | — | |
| SCHEMBL10192917 | 0.75 | RORC (0.39) | — | |
| SCHEMBL10193857 | 0.74 | BACE1 (0.51) | BACE1BACE2CYP2D6 | |
| SCHEMBL10193244 | 0.73 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL21557712 | 0.73 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL17865208 | 0.72 | BACE1 (0.41) | BACE1BACE2 |
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 |