Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 10/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 2/20 | 0.48 |
| ▸ | MET | P08581 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | FLT1 | P17948 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL1267539 | 0.90 | CYP2C9 (0.70) | CYP2C9CYP3A4CYP2C19CYP2D6CSF1R | |
| SCHEMBL1882678 | 0.89 | CYP3A4 (0.64) | CYP2C9CYP3A4CYP2C19CYP2D6CSF1R | |
| SCHEMBL1885510 | 0.87 | CYP3A4 (0.59) | CYP2C9CYP3A4CYP2C19CYP2D6CSF1R | |
| SCHEMBL1881996 | 0.87 | CYP2C19 (0.64) | CYP2C9CYP3A4CYP2C19CYP2D6CSF1R | |
| SCHEMBL1891900 | 0.86 | CYP2C9 (0.79) | CYP2C9CYP3A4CYP2C19CYP2D6CSF1R | |
| SCHEMBL1886350 | 0.81 | CYP3A4 (0.83) | CYP2C9CYP3A4CYP2C19CSF1RKIT | |
| SCHEMBL1889798 | 0.81 | CYP2C9 (0.50) | CYP2C9CYP3A4CYP2C19CYP2D6MET | |
| SCHEMBL1891153 | 0.81 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP2C19CYP2D6MET | |
| SCHEMBL1882746 | 0.81 | CYP3A4 (0.88) | CYP2C9CYP3A4CYP2C19CSF1RKIT | |
| SCHEMBL1266686 | 0.81 | CYP2C9 (0.74) | CYP2C9CYP3A4CYP2C19CYP2D6CSF1R |
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-2011057022-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. (US) | 2011-05-12 | — | — | WO | disclosed |