Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 16/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.56 |
| ▸ | KIT | P10721 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | FLT3 | P36888 | 2/20 | 0.47 |
| ▸ | AURKC | Q9UQB9 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2115171 | 0.91 | CYP3A4 (0.72) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL2113527 | 0.88 | CYP3A4 (0.62) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL2111516 | 0.87 | CYP3A4 (0.59) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL2114894 | 0.86 | CYP3A4 (0.81) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL2113134 | 0.85 | CYP3A4 (0.68) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL10264218 | 0.84 | CYP3A4 (0.65) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL2112974 | 0.84 | CYP3A4 (0.55) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL13616575 | 0.84 | CYP3A4 (0.62) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL2112123 | 0.84 | CYP3A4 (0.66) | CYP3A4CYP2C19CYP2C9KITKDR | |
| SCHEMBL2113346 | 0.84 | CYP3A4 (0.64) | CYP3A4CYP2C19CYP2C9KITKDR |
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 |