Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8247533 | 1.00 | BACE1 (0.40) | BACE1BACE2TMEM97SIGMAR1FKBP1A | |
| SCHEMBL10293167 | 0.91 | BACE1 (0.37) | BACE1BACE2TMEM97SIGMAR1FKBP1A | |
| SCHEMBL756887 | 0.91 | BACE1 (0.37) | BACE1BACE2TMEM97SIGMAR1FKBP1A | |
| SCHEMBL760152 | 0.91 | BACE1 (0.37) | BACE1BACE2TMEM97SIGMAR1FKBP1A | |
| SCHEMBL755040 | 0.91 | BACE1 (0.37) | BACE1BACE2TMEM97SIGMAR1FKBP1A | |
| SCHEMBL10293166 | 0.91 | BACE1 (0.37) | BACE1BACE2TMEM97SIGMAR1FKBP1A | |
| SCHEMBL14640804 | 0.91 | BACE1 (0.37) | BACE1BACE2TMEM97SIGMAR1FKBP1A | |
| SCHEMBL756120 | 0.90 | PDK1 (0.38) | BACE1PDK1PDK2PDK3PDK4 | |
| SCHEMBL5326122 | 0.88 | ADORA3 (0.39) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL13435140 | 0.85 | PDK1 (0.38) | BACE1TMEM97SIGMAR1PDK1PDK2 |
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-1910364-B1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-03-21 | — | — | EP | disclosed |