Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | KIT | P10721 | 2/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.54 |
| ▸ | FLT3 | P36888 | 2/20 | 0.54 |
| ▸ | AURKC | Q9UQB9 | 2/20 | 0.54 |
| ▸ | CSF1R | P07333 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2114021 | 0.90 | CYP3A4 (0.76) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL2112620 | 0.86 | CYP3A4 (0.77) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL2111180 | 0.85 | CYP3A4 (0.79) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL13616225 | 0.84 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL2114041 | 0.84 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL2113988 | 0.83 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL2112091 | 0.82 | CYP1A2 (0.68) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL2114894 | 0.82 | CYP3A4 (0.81) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL2112166 | 0.82 | CYP3A4 (0.77) | CYP3A4CYP2C9CYP2C19KITKDR | |
| SCHEMBL2114331 | 0.81 | CYP1A2 (0.65) | CYP3A4CYP2C9CYP2C19KITKDR |
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-2009143018-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2009-11-26 | — | — | WO | disclosed |