Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.35 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL3856818 | 0.88 | CTSC (0.33) | — | |
| SCHEMBL3838661 | 0.73 | SIGMAR1 (0.41) | PTGS2PTGS1 | |
| SCHEMBL3479537 | 0.73 | SIGMAR1 (0.41) | PTGS2PTGS1 | |
| SCHEMBL8172292 | 0.66 | PTGS2 (0.39) | PTGS2PTGS1 | |
| SCHEMBL13411170 | 0.66 | PTGS2 (0.39) | PTGS2PTGS1 | |
| SCHEMBL8179365 | 0.61 | PTGS2 (0.41) | PTGS2PTGS1 | |
| SCHEMBL13448493 | 0.60 | PTGS2 (0.72) | PTGS2PTGS1TDO2 | |
| SCHEMBL215130 | 0.59 | PTGS2 (1.00) | PTGS2DRD1PTGS1 | |
| SCHEMBL2816588 | 0.57 | PTGS2 (0.63) | PTGS2TDO2 | |
| SCHEMBL5723692 | 0.57 | PTGS2 (0.56) | PTGS2DRD1PTGS1TDO2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2063889-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030412-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |