Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1050339 | 0.84 | JAK2 (0.37) | CYP3A4CYP2C19CYP1A2MEN1TP53 | |
| SCHEMBL1050439 | 0.84 | PAK1 (0.42) | MEN1KMT2AJAK2 | |
| SCHEMBL1053265 | 0.72 | LCK (0.41) | CYP3A4CYP2C19ADRA1ASLC6A4KCNH2 | |
| SCHEMBL417796 | 0.71 | CYP3A4 (0.46) | CYP3A4CYP2C19CYP1A2CYP2D6ADRA1A | |
| SCHEMBL1052531 | 0.70 | CYP2C9 (0.47) | CYP3A4CYP2C19CYP1A2CYP2D6MAPT | |
| SCHEMBL1053363 | 0.70 | CYP2C9 (0.41) | CYP3A4CYP2C19SNCACYP2C9 | |
| SCHEMBL1054824 | 0.69 | CYP2C9 (0.52) | CYP3A4CYP2C19CYP1A2CYP2D6MAPT | |
| SCHEMBL1050251 | 0.68 | PAK1 (0.36) | CYP2C19CYP2C9 | |
| SCHEMBL1053572 | 0.68 | PAK1 (0.41) | CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL8941196 | 0.67 | JAK2 (0.67) | JAK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2094701-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008080001-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2008-07-03 | — | — | WO | disclosed |
| WO-2008080015-A2 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2008-07-03 | — | — | WO | disclosed |