Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
| ▸ | MELK | Q14680 | 1/20 | 0.31 |
| ▸ | GPR6 | P46095 | 1/20 | 0.30 |
| ▸ | WNT1 | P04628 | 2/20 | 0.30 |
| ▸ | GSK3B | P49841 | 2/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.30 |
| ▸ | CLK2 | P49760 | 1/20 | 0.30 |
| ▸ | CLK3 | P49761 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20162149 | 0.78 | MAP3K5 (0.34) | MAP3K5HDAC2HDAC1S1PR1MELK | |
| SCHEMBL21533383 | 0.77 | WNT1 (0.35) | MAP3K5MELKWNT1GSK3BDYRK1A | |
| SCHEMBL20367451 | 0.77 | HDAC1 (0.38) | MAP3K5HDAC2HDAC1S1PR1MELK | |
| SCHEMBL20162140 | 0.67 | WNT1 (0.38) | MAP3K5WNT1GSK3BDYRK1ACLK2 | |
| SCHEMBL20162145 | 0.66 | SCD (0.39) | MAP3K5WNT1GSK3BDYRK1ACLK2 | |
| SCHEMBL20162167 | 0.65 | MELK (0.46) | S1PR1MELK | |
| Hydrochloric Acid SCHEMBL20162129 | 0.64 | MELK (0.45) | S1PR1MELK | |
| SCHEMBL20162148 | 0.63 | RBP4 (0.34) | MAP3K5GPR6 | |
| SCHEMBL21518083 | 0.61 | OGA (0.37) | — | |
| SCHEMBL26107113 | 0.61 | MELK (0.39) | MAP3K5MELK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3323809-A1 | BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE | Sumitomo Dainippon Pharma Co., Ltd. (JP) | 2018-05-23 | — | — | EP | disclosed |