Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.55 |
| ▸ | BACE2 | Q9Y5Z0 | 16/20 | 0.55 |
| ▸ | CTSD | P07339 | 1/20 | 0.51 |
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 | 0.93 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL10328798 | 0.93 | BACE1 (0.60) | BACE1BACE2CTSD | |
| SCHEMBL18174827 | 0.93 | BACE1 (0.47) | BACE1BACE2CTSD | |
| SCHEMBL18174829 | 0.91 | BACE1 (0.46) | BACE1BACE2CTSD | |
| SCHEMBL18174815 | 0.91 | BACE1 (0.57) | BACE1BACE2 | |
| SCHEMBL18174821 | 0.91 | BACE1 (0.56) | BACE1BACE2 | |
| SCHEMBL10328807 | 0.89 | BACE1 (0.56) | BACE1BACE2CTSD | |
| SCHEMBL18174816 | 0.89 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL18174817 | 0.89 | BACE1 (0.57) | BACE1BACE2CTSD | |
| SCHEMBL18174814 | 0.88 | BACE1 (0.52) | 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 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 |