Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.42 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 6/20 | 0.41 |
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31363779 | 0.85 | NAMPT (0.51) | NAMPTMAP4K4CYP17A1PRMT1PSMB8 | |
| SCHEMBL5778192 | 0.83 | NAMPT (0.49) | NAMPTMAP4K4CYP17A1PSMB8MAPKAPK2 | |
| SCHEMBL30884737 | 0.83 | NAMPT (0.49) | NAMPTMAP4K4CYP17A1PSMB8MAPKAPK2 | |
| SCHEMBL1463135 | 0.81 | NAMPT (0.47) | NAMPTMAP4K4CYP17A1PRMT1PSMB8 | |
| SCHEMBL19252482 | 0.80 | NAMPT (0.46) | NAMPTMAP4K4CYP17A1PSMB8MAPKAPK2 | |
| SCHEMBL30177374 | 0.80 | NAMPT (0.46) | NAMPTMAP4K4CYP17A1PSMB8MAPKAPK2 | |
| SCHEMBL31378805 | 0.78 | KCNQ3 (0.53) | NAMPTCYP17A1MAPKAPK2 | |
| SCHEMBL6609814 | 0.78 | NAMPT (0.52) | NAMPTMAP4K4CYP17A1PSMB8MAPKAPK2 | |
| SCHEMBL376258 | 0.78 | NAMPT (0.56) | NAMPTMAP4K4CYP17A1PSMB8MAPKAPK2 | |
| SCHEMBL30208803 | 0.78 | NAMPT (0.56) | NAMPTMAP4K4CYP17A1PSMB8MAPKAPK2 |
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-2019079373-A1 | PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-04-25 | — | — | WO | disclosed |