Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 4/20 | 0.40 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9958466 | 0.79 | BACE1 (0.40) | BACE1APPPNMTTDP2ADRA2A | |
| SCHEMBL31076 | 0.79 | BACE1 (0.40) | BACE1APPPNMTTDP2ADRA2A | |
| SCHEMBL20467101 | 0.79 | BACE1 (0.47) | BACE1APPPNMTTDP2ADRA2A | |
| SCHEMBL9959220 | 0.78 | BACE1 (0.41) | BACE1APPPNMTTDP2ADRA2A | |
| SCHEMBL19568063 | 0.77 | BACE1 (0.54) | BACE1APPPNMT | |
| SCHEMBL9948211 | 0.77 | BACE1 (0.44) | BACE1APPPNMTTDP2CMA1 | |
| SCHEMBL29830 | 0.76 | BACE1 (0.46) | BACE1APP | |
| SCHEMBL9959180 | 0.76 | BACE1 (0.46) | BACE1APP | |
| SCHEMBL9958538 | 0.74 | TDP2 (0.46) | PNMTTDP2ADRA2ACMA1AHR | |
| SCHEMBL9958432 | 0.73 | BACE1 (0.44) | BACE1APPPNMTADRA2AADRA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655378-A1 | COMPOUNDS AND THEIR USE AS BACE INHIBITORS | AstraZeneca AB (SE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087237-A1 | COMPOUNDS AND THEIR USE AS BACE INHIBITORS | ASTRAZENECA AB (SE) | 2012-06-28 | — | — | WO | disclosed |