Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 14/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL10328770 | 0.84 | BACE1 (0.57) | BACE1BACE2NPC1RAB9AALDH1A1 | |
| SCHEMBL15886306 | 0.80 | BACE1 (0.69) | BACE1BACE2 | |
| SCHEMBL16855913 | 0.80 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL12721360 | 0.79 | BACE1 (0.51) | BACE1BACE2 | |
| SCHEMBL16854109 | 0.76 | BACE1 (0.67) | BACE1BACE2 | |
| SCHEMBL17307764 | 0.74 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL13466063 | 0.74 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL16854096 | 0.73 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL13466087 | 0.72 | BACE1 (0.64) | BACE1BACE2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13466053 | 0.72 | BACE1 (0.67) | 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-3034080-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2016-06-22 | — | — | EP | disclosed |