Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 7/20 | 0.36 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5616568 | 1.00 | BACE1 (0.36) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL756435 | 0.95 | BACE1 (0.38) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL8238893 | 0.95 | BACE1 (0.38) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL755425 | 0.89 | ADORA3 (0.35) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL755426 | 0.89 | ADORA3 (0.35) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL755123 | 0.88 | BACE1 (0.36) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| SCHEMBL757200 | 0.88 | BACE1 (0.36) | BACE1BACE2ADORA3ADORA2AADORA1 | |
| Trifluoroacetic Acid SCHEMBL755765 | 0.86 | BACE1 (0.33) | BACE1BACE2TMEM97SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL760031 | 0.86 | BACE1 (0.33) | BACE1BACE2TMEM97SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL757727 | 0.85 | BACE1 (0.37) | BACE1BACE2ADORA3ADORA2AADORA1 |
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 |