Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 12/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL5360150 | 0.79 | BACE1 (0.62) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL27571454 | 0.78 | BACE1 (0.49) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL8479651 | 0.76 | BACE1 (0.50) | BACE1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL8550527 | 0.75 | BACE1 (0.48) | BACE1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL20088011 | 0.74 | BACE1 (0.58) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL27611903 | 0.74 | BACE1 (0.58) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL5950846 | 0.69 | BACE1 (0.47) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL5950852 | 0.69 | BACE1 (0.47) | BACE1CYP3A4CYP2C9CYP2C19ANPEP | |
| SCHEMBL12811173 | 0.67 | CYP1A2 (0.44) | BACE1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL5950937 | 0.67 | BACE1 (0.50) | BACE1CYP3A4CYP2C9CYP2C19ANPEP |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1318054-A | Novel compounds | ASTRA PHARMA PROD (SE) | 2001-10-17 | — | — | CN | disclosed |
| EP-1114029-A1 | NOVEL COMPOUNDS | AstraZeneca AB (SE) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000015614-A1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2000-03-23 | — | — | WO | disclosed |