Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 10/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18174820 | 0.89 | BACE1 (0.56) | BACE1BACE2KCNH2 | |
| SCHEMBL10328728 | 0.88 | BACE1 (0.57) | BACE1BACE2KCNH2 | |
| SCHEMBL10328802 | 0.87 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL10328789 | 0.87 | BACE1 (0.55) | BACE1BACE2KCNH2 | |
| SCHEMBL18174818 | 0.86 | BACE1 (0.55) | BACE1BACE2 | |
| SCHEMBL18174827 | 0.85 | BACE1 (0.47) | BACE1BACE2KCNH2 | |
| SCHEMBL18174829 | 0.85 | BACE1 (0.46) | BACE1BACE2KCNH2 | |
| SCHEMBL18174817 | 0.83 | BACE1 (0.57) | BACE1BACE2KCNH2 | |
| SCHEMBL18174815 | 0.83 | BACE1 (0.57) | BACE1BACE2 | |
| SCHEMBL18174821 | 0.83 | BACE1 (0.56) | BACE1BACE2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9475785-B2 | Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2016-10-25 | — | — | US | disclosed |