Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 7/20 | 0.42 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329345 | 0.84 | L3MBTL1 (0.47) | ALDH1A1 | |
| SCHEMBL13141081 | 0.84 | NAMPT (0.46) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 | |
| SCHEMBL853159 | 0.82 | NAMPT (0.49) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 | |
| SCHEMBL17247383 | 0.82 | MAPKAPK2 (0.53) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 | |
| SCHEMBL29850092 | 0.82 | NAMPT (0.49) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 | |
| Acetic Acid SCHEMBL27895454 | 0.82 | NAMPT (0.47) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 | |
| SCHEMBL925018 | 0.81 | NAMPT (0.48) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 | |
| SCHEMBL14260617 | 0.81 | NAMPT (0.48) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 | |
| SCHEMBL28268052 | 0.81 | SREBF2 (0.44) | NAMPTCYP17A1MAPKAPK2MAP4K4AURKA | |
| SCHEMBL1894319 | 0.81 | NAMPT (0.44) | NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109069869-A | Bicyclic PAD4 inhibitor | 帕德罗科治疗公司 | 2018-12-21 | — | — | CN | disclosed |