Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 11/20 | 0.45 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10195043 | 0.94 | BACE1 (0.49) | BACE1ACKR3ALDH1A1POLBMEN1 | |
| SCHEMBL10193692 | 0.91 | ACKR3 (0.44) | BACE1ACKR3ALDH1A1POLBMEN1 | |
| SCHEMBL10193690 | 0.90 | ACKR3 (0.44) | BACE1ACKR3ALDH1A1POLBMEN1 | |
| SCHEMBL10194085 | 0.89 | ACKR3 (0.50) | BACE1ACKR3ALDH1A1POLBMEN1 | |
| SCHEMBL10155942 | 0.87 | BACE1 (0.46) | BACE1 | |
| SCHEMBL10155945 | 0.85 | BACE1 (0.46) | BACE1 | |
| SCHEMBL10193143 | 0.81 | BACE1 (0.47) | BACE1 | |
| SCHEMBL10192949 | 0.79 | BACE1 (0.44) | BACE1SIRT2SIRT1SIRT3AURKA | |
| SCHEMBL10192943 | 0.78 | BACE1 (0.44) | BACE1AURKARPS6KB1 | |
| SCHEMBL10193836 | 0.78 | BACE1 (0.47) | BACE1AURKA |
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 |