Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.57 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 3/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1053943 | 0.98 | JAK2 (0.58) | JAK2BRD4CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL15241762 | 0.79 | BRD4 (0.49) | JAK2BRD4CHEK1MAPK1KIT | |
| SCHEMBL20408723 | 0.78 | KIT (0.59) | JAK2BRD4KITAXLCDK8 | |
| Ammonia Solution, Strong SCHEMBL27874537 | 0.78 | DYRK1A (0.57) | JAK2BRD4CHEK1MAPK1CSF1R | |
| SCHEMBL1880862 | 0.76 | BRD4 (0.47) | BRD4MAPK1KITAXLCDK8 | |
| SCHEMBL1045946 | 0.76 | BRD4 (0.54) | JAK2BRD4CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL68662 | 0.76 | DYRK1A (0.58) | JAK2BRD4CHEK1MAPK1CSF1R | |
| SCHEMBL29928376 | 0.76 | JAK2 (0.54) | JAK2CYP2C9CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL11968454 | 0.76 | BRD4 (0.47) | JAK2BRD4CHEK1MAPK1KIT | |
| SCHEMBL12657249 | 0.76 | JAK2 (0.54) | JAK2CYP2C9CYP3A4CYP2C19CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102695417-A | Compounds and methods for kinase modulation and indications therefor | PLEXXIKON INC | 2012-09-26 | — | — | CN | disclosed |