Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | PNMT | P11086 | 5/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | 1.00 | BACE1 (0.40) | BACE1APPTDP2CMA1AHR | |
| SCHEMBL9959115 | 0.79 | BACE1 (0.41) | BACE1APPTDP2CMA1AHR | |
| SCHEMBL9959180 | 0.79 | BACE1 (0.46) | BACE1APP | |
| SCHEMBL29830 | 0.79 | BACE1 (0.46) | BACE1APP | |
| SCHEMBL9959220 | 0.79 | BACE1 (0.41) | BACE1APPTDP2CMA1AHR | |
| SCHEMBL9958538 | 0.77 | TDP2 (0.46) | TDP2CMA1AHRPNMTMETAP1 | |
| SCHEMBL9958432 | 0.76 | BACE1 (0.44) | BACE1APPPNMTADRA2AADRA2B | |
| SCHEMBL30392 | 0.76 | BACE1 (0.44) | BACE1APPPNMTADRA2AADRA2B | |
| SCHEMBL1464901 | 0.75 | BACE1 (0.44) | BACE1APPTDP2CMA1AHR | |
| SCHEMBL1465873 | 0.75 | BACE1 (0.44) | BACE1APPTDP2CMA1AHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2780321-A1 | MONO-FLUORO BETA-SECRETASE INHIBITORS | Astrazeneca AB (SE) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013054108-A1 | MONO-FLUORO BETA-SECRETASE INHIBITORS | ASTRAZENECA AB (SE) | 2013-04-18 | — | — | WO | disclosed |
| EP-2406240-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |