Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.32 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL10328641 | 1.00 | BACE1 (0.32) | BACE1BACE2CTSD | |
| SCHEMBL10328644 | 0.90 | BACE1 (0.31) | BACE1BACE2 | |
| SCHEMBL15895182 | 0.90 | BACE1 (0.31) | BACE1BACE2 | |
| SCHEMBL10328609 | 0.89 | BACE1 (0.35) | BACE1BACE2CTSD | |
| SCHEMBL17850158 | 0.89 | BACE1 (0.35) | BACE1BACE2CTSD | |
| SCHEMBL10328680 | 0.86 | BACE1 (0.36) | BACE1BACE2CTSD | |
| SCHEMBL15895226 | 0.86 | BACE1 (0.36) | BACE1BACE2CTSD | |
| SCHEMBL17850165 | 0.85 | BACE1 (0.36) | BACE1BACE2CTSD | |
| SCHEMBL10328596 | 0.85 | BACE1 (0.36) | BACE1BACE2CTSD | |
| SCHEMBL15895250 | 0.83 | BACE2 (0.38) | BACE1BACE2CTSD |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-3034080-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2016-06-22 | — | — | EP | disclosed |