Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17269793 | 0.76 | HTR6 (0.49) | HTR6 | |
| Hydrochloric Acid SCHEMBL17262459 | 0.75 | HTR6 (0.50) | HTR6 | |
| SCHEMBL18721032 | 0.73 | MAP2K4 (0.52) | TDO2 | |
| SCHEMBL20817932 | 0.72 | BRD4 (0.46) | TDO2HTR6PLAT | |
| SCHEMBL13448493 | 0.70 | PTGS2 (0.72) | PTGS2TDO2PTGS1 | |
| SCHEMBL12041646 | 0.70 | HTR6 (0.68) | HTR6 | |
| SCHEMBL4124149 | 0.70 | SLC6A2 (0.48) | PTGS2TDO2PTGS1 | |
| SCHEMBL4124146 | 0.70 | SLC6A2 (0.48) | PTGS2TDO2PTGS1 | |
| SCHEMBL17334213 | 0.69 | PLAT (0.46) | PTGS2PLAT | |
| SCHEMBL3342683 | 0.69 | APP (0.46) | PTGS2PLAT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008030412-A2 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |