Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5872372 | 0.95 | AR (0.35) | ARPOLBSPHK1SCN3ADPP4 | |
| SCHEMBL2224080 | 0.84 | CYP1A2 (0.40) | LMNA | |
| SCHEMBL14940944 | 0.84 | POLB (0.39) | ARPOLBSPHK1SCN3ADPP4 | |
| SCHEMBL2224084 | 0.84 | CYP1A2 (0.40) | LMNA | |
| SCHEMBL6020379 | 0.80 | ALDH1A1 (0.37) | LMNA | |
| SCHEMBL6020376 | 0.80 | F2 (0.37) | DPP4HSD11B1 | |
| SCHEMBL2224603 | 0.78 | LTA4H (0.43) | POLB | |
| SCHEMBL2224182 | 0.78 | LTA4H (0.43) | POLB | |
| SCHEMBL12201786 | 0.77 | POLB (0.42) | ARPOLBSPHK1SCN3ADPP4 | |
| SCHEMBL943039 | 0.77 | POLB (0.42) | ARPOLBSPHK1SCN3ADPP4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7012075-B2 | Cathepsin cysteine protease inhibitors | MERCK & CO., INC. (US) | 2006-03-14 | — | — | US | disclosed |