Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 8/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | KCNJ6 | P48051 | 4/20 | 0.38 |
| ▸ | KCNJ5 | P48544 | 4/20 | 0.38 |
| ▸ | KCNJ3 | P48549 | 4/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL19986607 | 0.90 | NAMPT (0.41) | NAMPTKCNJ6KCNJ5KCNJ3KDR | |
| SCHEMBL19986694 | 0.90 | NAMPT (0.41) | NAMPTKCNJ6KCNJ5KCNJ3KDR | |
| SCHEMBL19986634 | 0.85 | KMT2A (0.41) | NAMPTKCNJ6KCNJ5KCNJ3KDR | |
| SCHEMBL19986602 | 0.82 | KMT2A (0.47) | CYP3A4MEN1KMT2A | |
| SCHEMBL19986554 | 0.79 | MEN1 (0.47) | NAMPTKCNJ6KCNJ5KCNJ3KDR | |
| SCHEMBL19986713 | 0.78 | KCNJ6 (0.39) | NAMPTCYP3A4KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL19986668 | 0.78 | KCNJ6 (0.39) | NAMPTCYP3A4KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL19986646 | 0.73 | ALDH1A1 (0.49) | CYP3A4MEN1KMT2A | |
| SCHEMBL19986461 | 0.73 | ALDH1A1 (0.52) | CYP3A4MEN1KMT2A | |
| SCHEMBL19986564 | 0.72 | NAMPT (0.52) | NAMPTKCNJ6KCNJ5KCNJ3MEN1 |
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-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |