Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK2 | Q92630 | 3/20 | 0.69 |
| ▸ | IKBKB | O14920 | 2/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | AKT2 | P31751 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.44 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.44 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7122621 | 0.82 | DYRK2 (1.00) | DYRK2IKBKBRAF1RPS6KB1MAPK1 | |
| SCHEMBL29929418 | 0.82 | DYRK2 (1.00) | DYRK2IKBKBRAF1RPS6KB1MAPK1 | |
| SCHEMBL7122623 | 0.82 | DYRK2 (1.00) | DYRK2IKBKBRAF1RPS6KB1MAPK1 | |
| SCHEMBL13036873 | 0.82 | DYRK2 (1.00) | DYRK2IKBKBRAF1RPS6KB1MAPK1 | |
| SCHEMBL3438080 | 0.77 | DYRK2 (0.57) | DYRK2XDHPIM1ACHEEGFR | |
| SCHEMBL17077392 | 0.77 | HTT (0.58) | DYRK2XDHPIM1ACHEEGFR | |
| SCHEMBL3438081 | 0.77 | DYRK2 (0.57) | DYRK2XDHPIM1ACHEEGFR | |
| SCHEMBL5594057 | 0.77 | DYRK2 (0.57) | DYRK2XDHPIM1ACHEEGFR | |
| SCHEMBL17077393 | 0.77 | HTT (0.58) | DYRK2XDHPIM1ACHEEGFR | |
| SCHEMBL28138472 | 0.74 | KDM4E (0.62) | KDRMAP2K1PIM1ACHEMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083557-A | α, β unsaturation cyclohexanone derivative and application thereof | 武汉理工大学 | 2016-11-09 | — | — | CN | claimed |
| CN-106008324-A | Alpha,beta-unsaturated compounds and application thereof | 武汉理工大学 | 2016-10-12 | — | — | CN | claimed |
| CN-106083557-A | α, β unsaturation cyclohexanone derivative and application thereof | 武汉理工大学 | 2016-11-09 | — | — | CN | disclosed |
| CN-106008324-A | Alpha,beta-unsaturated compounds and application thereof | 武汉理工大学 | 2016-10-12 | — | — | CN | disclosed |