Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CLK3 | P49761 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | DYRK4 | Q9NR20 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 3/20 | 0.36 |
| ▸ | METAP2 | P50579 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23064347 | 0.77 | MAP4K1 (0.37) | CSNK1ECLK1CLK2CLK3CDK9 | |
| SCHEMBL21737827 | 0.66 | MAP4K1 (0.47) | — | |
| SCHEMBL12775047 | 0.65 | NOS3 (0.74) | NOS3NOS2ASIC3IDH1METAP2 | |
| SCHEMBL29601960 | 0.63 | ASIC3 (0.68) | NOS3NOS2ASIC3IDH1NOS1 | |
| SCHEMBL1073895 | 0.63 | ASIC3 (0.68) | NOS3NOS2ASIC3IDH1NOS1 | |
| SCHEMBL4313732 | 0.62 | ALDH1A1 (0.55) | NOS3NOS2ASIC3IDH1IRAK4 | |
| SCHEMBL28195260 | 0.62 | — | — | |
| SCHEMBL29899251 | 0.61 | NOS3 (0.54) | NOS3NOS2ASIC3IDH1IRAK4 | |
| SCHEMBL21724058 | 0.61 | MAP3K5 (0.52) | — | |
| SCHEMBL21724355 | 0.61 | MAP3K5 (0.52) | — |
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-3572401-B1 | ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF | FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) | 2021-09-29 | — | — | EP | disclosed |