Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.64 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | BUB1 | O43683 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10329096 | 0.86 | BACE1 (0.52) | BACE1IRAK4AURKAPDE7ABUB1 | |
| SCHEMBL10329195 | 0.86 | BACE1 (0.67) | BACE1L3MBTL1 | |
| SCHEMBL16133366 | 0.76 | BACE1 (0.41) | BACE1 | |
| SCHEMBL10328952 | 0.75 | HPGD (0.46) | BACE1 | |
| SCHEMBL10329323 | 0.74 | BACE1 (0.49) | BACE1 | |
| SCHEMBL10328630 | 0.74 | BACE1 (0.32) | BACE1 | |
| SCHEMBL10329873 | 0.72 | HTR1F (0.37) | BACE1 | |
| SCHEMBL10328755 | 0.71 | BACE1 (0.42) | BACE1L3MBTL1 | |
| SCHEMBL10328753 | 0.70 | XIAP (0.45) | BACE1 | |
| SCHEMBL10328759 | 0.70 | BACE1 (0.41) | BACE1IRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016118404-A1 | IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-07-28 | — | — | WO | disclosed |