Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.61 |
| ▸ | PAK1 | Q13153 | 7/20 | 0.51 |
| ▸ | JAK2 | O60674 | 3/20 | 0.48 |
| ▸ | BRD4 | O60885 | 3/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
| ▸ | BRD2 | P25440 | 1/20 | 0.48 |
| ▸ | JAK3 | P52333 | 1/20 | 0.48 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.48 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.48 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.47 |
| ▸ | PKMYT1 | Q99640 | 2/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.45 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16513994 | 0.90 | EGFR (0.63) | EGFRPAK1JAK2BRD4JAK3 | |
| SCHEMBL18527548 | 0.90 | EGFR (0.49) | EGFRPAK1JAK2BRD4JAK1 | |
| SCHEMBL16514436 | 0.90 | EGFR (0.62) | EGFRPAK1JAK2BRD4JAK1 | |
| SCHEMBL16514550 | 0.88 | EGFR (0.61) | EGFRPAK1JAK2BRD4JAK1 | |
| SCHEMBL16514587 | 0.84 | FGFR1 (0.55) | EGFRJAK2BRD4JAK1JAK3 | |
| SCHEMBL29847155 | 0.83 | EGFR (0.79) | EGFRPAK1JAK2BRD4JAK1 | |
| SCHEMBL16514504 | 0.83 | EGFR (0.79) | EGFRPAK1JAK2BRD4JAK1 | |
| Maleic Acid SCHEMBL16514328 | 0.81 | FGFR1 (0.56) | EGFRPAK1JAK2BRD4FGFR1 | |
| Fumaric Acid SCHEMBL16514259 | 0.81 | FGFR1 (0.56) | EGFRPAK1JAK2BRD4FGFR1 | |
| SCHEMBL18527556 | 0.80 | EGFR (0.51) | EGFRPAK1JAK2BRD4JAK3 |
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 |