Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.38 |
| ▸ | CTSD | P07339 | 8/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL18373670 | 0.83 | DYRK1A (0.36) | BACE1PRMT5WDR77PTGES | |
| SCHEMBL17850237 | 0.80 | BACE1 (0.40) | BACE1PRMT5WDR77PTGES | |
| SCHEMBL18373628 | 0.79 | BACE1 (0.35) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL14734080 | 0.74 | BACE1 (0.44) | BACE1CTSDPRMT5WDR77 | |
| SCHEMBL18373682 | 0.74 | BACE1 (0.32) | BACE1CTSD | |
| SCHEMBL18373742 | 0.71 | CYP2A6 (0.32) | PTGES | |
| SCHEMBL18373653 | 0.69 | BACE1 (0.36) | BACE1CTSD | |
| SCHEMBL12721789 | 0.69 | LGMN (0.34) | — | |
| SCHEMBL15443969 | 0.65 | BACE1 (0.46) | BACE1CTSD | |
| SCHEMBL15820715 | 0.65 | BACE1 (0.49) | BACE1CTSDPRMT5WDR77 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3034080-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2016-06-22 | — | — | EP | disclosed |