Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 4/20 | 0.83 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.83 |
| ▸ | RAF1 | P04049 | 2/20 | 0.83 |
| ▸ | KDR | P35968 | 2/20 | 0.83 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.83 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.83 |
| ▸ | NEK2 | P51955 | 2/20 | 0.83 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.83 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.83 |
| ▸ | MAP2K5 | Q13163 | 2/20 | 0.83 |
| ▸ | PTK6 | Q13882 | 2/20 | 0.83 |
| ▸ | NEK11 | Q8NG66 | 2/20 | 0.83 |
| ▸ | MAP3K20 | Q9NYL2 | 2/20 | 0.83 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.83 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.83 |
| ▸ | EGFR | P00533 | 1/20 | 0.83 |
| ▸ | KRAS | P01116 | 1/20 | 0.83 |
| ▸ | PGR | P06401 | 1/20 | 0.83 |
| ▸ | RET | P07949 | 1/20 | 0.83 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.83 |
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 | |
|---|---|---|---|---|
| SCHEMBL18759119 | 0.94 | BRAF (0.78) | BRAFRIPK2RAF1KDRMAP2K2 | |
| SCHEMBL20399953 | 0.93 | BRAF (0.79) | BRAFRIPK2RAF1KDRMAP2K2 | |
| SCHEMBL20399246 | 0.93 | BRAF (0.79) | BRAFRIPK2RAF1KDRMAP2K2 | |
| SCHEMBL18759294 | 0.93 | BRAF (0.79) | BRAFRIPK2RAF1KDRMAP2K2 | |
| SCHEMBL298547 | 0.92 | BRAF (0.80) | BRAFRIPK2RAF1KDRMAP2K2 | |
| SCHEMBL7876722 | 0.92 | BRAF (0.89) | BRAFRIPK2RAF1KDRMAP2K2 | |
| SCHEMBL12891936 | 0.91 | BRAF (1.00) | BRAFRIPK2RAF1KDRMAP2K2 | |
| Vemurafenib SCHEMBL29355460 | 0.91 | BRAF (1.00) | BRAFRIPK2RAF1KDRMAP2K2 | |
| Vemurafenib SCHEMBL29356185 | 0.91 | BRAF (1.00) | BRAFRIPK2RAF1KDRMAP2K2 | |
| Vemurafenib SCHEMBL298931 | 0.91 | BRAF (1.00) | BRAFRIPK2RAF1KDRMAP2K2 |
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-2017066193-A1 | NOVEL INHIBITORS OF PROTEIN KINASES | PRINCETON DRUG DISCOVERY, LLC (US) | 2017-04-20 | — | — | WO | disclosed |