Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 9/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.41 |
| ▸ | NTRK3 | Q16288 | 4/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 4/20 | 0.41 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | JAK1 | P23458 | 2/20 | 0.40 |
| ▸ | JAK3 | P52333 | 2/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16265265 | 0.88 | IRAK4 (0.48) | IRAK4NTRK1NTRK3NTRK2 | |
| SCHEMBL14897161 | 0.88 | IRAK4 (0.49) | IRAK4NTRK1NTRK3NTRK2TGFBR1 | |
| SCHEMBL16193143 | 0.85 | IRAK4 (0.49) | IRAK4NTRK1NTRK3NTRK2 | |
| SCHEMBL14897269 | 0.84 | IRAK4 (0.49) | IRAK4NTRK1NTRK3NTRK2TGFBR1 | |
| SCHEMBL14897293 | 0.84 | IRAK4 (0.49) | IRAK4NTRK1NTRK3NTRK2TGFBR1 | |
| SCHEMBL14897396 | 0.84 | IRAK4 (0.50) | IRAK4NTRK1NTRK3NTRK2 | |
| SCHEMBL14897819 | 0.84 | IRAK4 (0.50) | IRAK4NTRK1NTRK3NTRK2JAK2 | |
| SCHEMBL14897276 | 0.83 | IRAK4 (0.53) | IRAK4NTRK1NTRK3NTRK2TGFBR1 | |
| SCHEMBL14897393 | 0.83 | IRAK4 (0.58) | IRAK4NTRK1NTRK3NTRK2 | |
| SCHEMBL14896897 | 0.83 | IRAK4 (0.48) | IRAK4NTRK1NTRK3NTRK2TGFBR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |
| WO-2013059587-A9 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2014-10-23 | — | — | WO | disclosed |
| WO-2013059587-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2013-04-25 | — | — | WO | disclosed |