Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.82 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12446306 | 0.91 | BACE1 (0.83) | BACE1BACE2HDAC3NCOR1HDAC1 | |
| SCHEMBL7934110 | 0.91 | BACE1 (0.86) | BACE1BACE2HDAC3NCOR1HDAC1 | |
| SCHEMBL7940752 | 0.91 | BACE1 (0.86) | BACE1BACE2HDAC3NCOR1HDAC1 | |
| SCHEMBL7940760 | 0.91 | BACE1 (0.86) | BACE1BACE2HDAC3NCOR1HDAC1 | |
| SCHEMBL7945035 | 0.90 | BACE1 (0.84) | BACE1BACE2HDAC3NCOR1HDAC1 | |
| SCHEMBL7942410 | 0.90 | BACE1 (0.84) | BACE1BACE2HDAC3NCOR1HDAC1 | |
| SCHEMBL7940313 | 0.90 | BACE1 (1.00) | BACE1BACE2 | |
| SCHEMBL7940563 | 0.89 | BACE1 (0.65) | BACE1TMEM97SIGMAR1BACE2 | |
| SCHEMBL12301301 | 0.87 | BACE1 (0.82) | BACE1TMEM97SIGMAR1AURKARPS6KB1 | |
| SCHEMBL7942738 | 0.87 | BACE1 (0.62) | BACE1TMEM97SIGMAR1BACE2 |
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-2360155-A1 | 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY | Shionogi & Co., Ltd. (JP) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010047372-A1 | 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY | 塩野義製薬株式会社 (JP) | 2010-04-29 | — | — | WO | disclosed |