Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.61 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.59 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.58 |
| ▸ | KDR | P35968 | 1/20 | 0.58 |
| ▸ | BTK | Q06187 | 6/20 | 0.53 |
| ▸ | JAK2 | O60674 | 5/20 | 0.52 |
| ▸ | JAK3 | P52333 | 5/20 | 0.52 |
| ▸ | JAK1 | P23458 | 3/20 | 0.52 |
| ▸ | TYK2 | P29597 | 3/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.51 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.50 |
| ▸ | BLK | P51451 | 1/20 | 0.50 |
| ▸ | BMX | P51813 | 1/20 | 0.50 |
| ▸ | FLT3 | P36888 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16514927 | 0.92 | EGFR (0.65) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL16514536 | 0.92 | EGFR (0.70) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL16513680 | 0.91 | EGFR (0.66) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL29847832 | 0.91 | EGFR (0.66) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL16515079 | 0.90 | EGFR (0.63) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL16515112 | 0.85 | EGFR (0.83) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL28417563 | 0.84 | FGFR1 (0.54) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL16514018 | 0.84 | FGFR2 (0.83) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL16514260 | 0.83 | EGFR (0.64) | EGFRFGFR2FGFR1KDRBTK | |
| SCHEMBL16514922 | 0.83 | EGFR (0.85) | EGFRFGFR2FGFR1KDRBTK |
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 | claimed |
| WO-2015027222-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2015-02-26 | — | — | WO | claimed |