Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.52 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18174825 | 0.95 | BACE1 (0.57) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL18174814 | 0.91 | BACE1 (0.52) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL18174823 | 0.90 | BACE1 (0.51) | BACE1BACE2CTSD | |
| SCHEMBL10328891 | 0.89 | BACE1 (0.60) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL10328899 | 0.89 | BACE1 (0.58) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL18174828 | 0.88 | BACE1 (0.44) | BACE1BACE2CTSD | |
| SCHEMBL18174824 | 0.87 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL18174817 | 0.86 | BACE1 (0.57) | BACE1BACE2KCNH2CTSD | |
| SCHEMBL18174826 | 0.86 | BACE1 (0.45) | BACE1BACE2CTSD | |
| SCHEMBL10328898 | 0.85 | BACE1 (0.63) | BACE1BACE2KCNH2CTSD |
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 |