Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 8/20 | 0.40 |
| ▸ | CDK8 | P49336 | 8/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | SGK1 | O00141 | 1/20 | 0.36 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20733019 | 0.89 | CCNC (0.40) | MELKCCNCCDK8GPR119CYP1A2 | |
| SCHEMBL22113717 | 0.86 | CCNC (0.37) | MELKCCNCCDK8GPR119HPGD | |
| SCHEMBL20732975 | 0.85 | CHEK1 (0.42) | CCNCCDK8GPR119 | |
| SCHEMBL20733015 | 0.74 | SGK1 (0.46) | SGK1CAMKK2HPGDSLC2A1PIK3CD | |
| SCHEMBL20733018 | 0.74 | SGK1 (0.44) | SGK1CAMKK2HPGDSLC2A1EGFR | |
| SCHEMBL20733083 | 0.71 | HPGD (0.59) | CCNCCDK8HPGD | |
| SCHEMBL20732892 | 0.67 | CCNC (0.49) | CCNCCDK8DYRK1A | |
| SCHEMBL20732965 | 0.63 | CCNC (0.54) | CCNCCDK8 | |
| SCHEMBL10138348 | 0.62 | SLC22A12 (0.51) | CCNCCDK8SGK1CAMKK2SLC2A1 | |
| SCHEMBL14562446 | 0.61 | ATM (0.51) | — |
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-3666770-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS | Joint Stock Company "Biocad" (RU) | 2020-06-17 | — | — | EP | disclosed |
| WO-2019031990-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS | ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" | 2019-02-14 | — | — | WO | disclosed |