Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.51 |
| ▸ | CLK1 | P49759 | 5/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 5/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 3/20 | 0.39 |
| ▸ | CLK3 | P49761 | 3/20 | 0.39 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.39 |
| ▸ | CLK2 | P49760 | 2/20 | 0.39 |
| ▸ | DYRK4 | Q9NR20 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | TCF7 | P36402 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22079051 | 1.00 | MAOB (0.51) | MAOBCLK1DYRK1ACLK4DYRK1B | |
| SCHEMBL29988699 | 0.79 | NAMPT (0.32) | MAOBAPPNAMPT | |
| SCHEMBL29268076 | 0.79 | MAOB (0.33) | MAOB | |
| SCHEMBL29268173 | 0.79 | NAMPT (0.32) | MAOBAPPNAMPT | |
| SCHEMBL29268082 | 0.79 | MAOB (0.33) | MAOB | |
| SCHEMBL29268169 | 0.79 | NAMPT (0.32) | MAOBAPPNAMPT | |
| SCHEMBL29988510 | 0.79 | MAOB (0.33) | MAOB | |
| SCHEMBL28467541 | 0.78 | CYP2A6 (0.51) | MAOBDYRK1ADYRK1BSRC | |
| SCHEMBL28467538 | 0.78 | CYP2A6 (0.51) | MAOBDYRK1ADYRK1BSRC | |
| SCHEMBL30238685 | 0.78 | CYP2A6 (0.51) | MAOBDYRK1ADYRK1BSRC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020114949-A1 | HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-11 | — | — | WO | disclosed |