Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 7/20 | 0.53 |
| ▸ | JAK2 | O60674 | 4/20 | 0.53 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | CDK4 | P11802 | 3/20 | 0.49 |
| ▸ | CCND1 | P24385 | 2/20 | 0.49 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.48 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | CCND2 | P30279 | 1/20 | 0.46 |
| ▸ | CCND3 | P30281 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | BRD2 | P25440 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.45 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16513550 | 0.91 | BRD4 (0.53) | BRD4JAK2FGFR1KDREGFR | |
| SCHEMBL16513811 | 0.83 | BRD4 (0.60) | BRD4JAK2FGFR1KDREGFR | |
| SCHEMBL29847690 | 0.83 | FGFR1 (0.71) | JAK2FGFR1KDREGFRFGFR2 | |
| SCHEMBL16513623 | 0.83 | FGFR1 (0.71) | JAK2FGFR1KDREGFRFGFR2 | |
| SCHEMBL16514436 | 0.81 | EGFR (0.62) | BRD4JAK2FGFR1KDREGFR | |
| SCHEMBL16514597 | 0.80 | TTK (0.56) | BRD4JAK2FGFR1KDREGFR | |
| SCHEMBL19096959 | 0.79 | MAPK10 (0.55) | BRD4JAK2EGFRCDK4CCND1 | |
| SCHEMBL16513467 | 0.79 | EGFR (0.58) | BRD4JAK2FGFR1KDREGFR | |
| SCHEMBL16514973 | 0.79 | EGFR (0.52) | BRD4JAK2FGFR1KDREGFR | |
| SCHEMBL16514168 | 0.78 | FGFR2 (0.52) | BRD4JAK2FGFR1KDREGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3035936-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NeuPharma, Inc. (US) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015027222-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2015-02-26 | — | — | WO | disclosed |