Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 12/20 | 0.57 |
| ▸ | BRAF | P15056 | 3/20 | 0.57 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.57 |
| ▸ | RAF1 | P04049 | 2/20 | 0.57 |
| ▸ | KDR | P35968 | 2/20 | 0.57 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.57 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.57 |
| ▸ | NEK2 | P51955 | 2/20 | 0.57 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.57 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.57 |
| ▸ | MAP2K5 | Q13163 | 2/20 | 0.57 |
| ▸ | PTK6 | Q13882 | 2/20 | 0.57 |
| ▸ | NEK11 | Q8NG66 | 2/20 | 0.57 |
| ▸ | MAP3K20 | Q9NYL2 | 2/20 | 0.57 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 1/20 | 0.57 |
| ▸ | KRAS | P01116 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | RET | P07949 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL2016012 | 0.94 | CYP2C19 (0.64) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL12988611 | 0.90 | CYP2C19 (0.63) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL12988318 | 0.89 | CYP2C19 (0.62) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL12988665 | 0.89 | BRAF (0.63) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL12467668 | 0.85 | CYP2C19 (0.69) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL297780 | 0.84 | BRAF (0.70) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL12989354 | 0.83 | CYP2C19 (0.72) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL12988744 | 0.83 | CYP2C19 (0.71) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL2013819 | 0.83 | CYP2C19 (0.70) | CYP2C19BRAFRIPK2RAF1KDR | |
| SCHEMBL2018833 | 0.82 | CYP2C19 (0.53) | CYP2C19BRAFCYP2C9CYP3A4CYP2D6 |
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-2012138809-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ZHANG DAWEI (US) | 2012-10-11 | — | — | WO | disclosed |