Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17848094 | 0.93 | NTRK1 (0.39) | PARP1NTRK1DYRK1AGSK3BAURKA | |
| SCHEMBL17848213 | 0.81 | MKNK2 (0.37) | HCAR2NTRK1DYRK1AMAPK1GSK3B | |
| SCHEMBL17848153 | 0.77 | DYRK1A (0.47) | PARP1HCAR2NTRK1DYRK1AMAPK1 | |
| SCHEMBL17848223 | 0.68 | NTRK1 (0.51) | PARP1NTRK1DYRK1AGSK3BPLK4 | |
| SCHEMBL3510459 | 0.64 | NTRK1 (0.77) | NTRK1PLK4AURKADAPK3PRKCG | |
| SCHEMBL17848289 | 0.62 | PARP1 (0.36) | PARP1 | |
| SCHEMBL17859174 | 0.60 | CYP2C9 (0.33) | PARP1NTRK1MAPK1 | |
| SCHEMBL590945 | 0.60 | ABCC9 (0.47) | NTRK1DYRK1AGSK3BPLK4MAPK13 | |
| SCHEMBL6855281 | 0.59 | DYRK1A (0.67) | NTRK1DYRK1AGSK3BPLK4DCLK1 | |
| SCHEMBL17848098 | 0.59 | DYRK1A (0.85) | DYRK1AGSK3BPDPK1JAK2 |
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-3233840-A1 | HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES | Eudendron S.r.l. (IT) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096709-A1 | HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES | EUDENDRON S.R.L. (IT) | 2016-06-23 | — | — | WO | disclosed |