Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.54 |
| ▸ | BACE2 | Q9Y5Z0 | 9/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18567410 | 0.90 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL18567412 | 0.86 | BACE1 (0.52) | BACE1BACE2 | |
| SCHEMBL15693517 | 0.84 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL18567769 | 0.82 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL18567766 | 0.82 | BACE1 (0.53) | BACE1BACE2 | |
| SCHEMBL18567411 | 0.81 | BACE1 (0.54) | BACE1BACE2 | |
| SCHEMBL18250603 | 0.80 | BACE1 (0.59) | BACE1BACE2 | |
| SCHEMBL18250602 | 0.80 | BACE1 (0.59) | BACE1BACE2 | |
| SCHEMBL17127258 | 0.80 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL15693538 | 0.78 | BACE1 (0.69) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2697210-B1 | 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2017-03-01 | — | — | EP | disclosed |