Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.57 |
| ▸ | LMNA | P02545 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 2/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.49 |
| ▸ | USP2 | O75604 | 6/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28275901 | 0.80 | PIK3CA (0.59) | CLK4LMNAMAPTACVR1PIK3CA | |
| SCHEMBL20733140 | 0.78 | MAP4K4 (0.56) | MAPK1CLK4LMNAMEN1KMT2A | |
| SCHEMBL20732859 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP3A4MAPK1CLK4ALDH1A1 | |
| SCHEMBL20732852 | 0.77 | LMNA (0.55) | CYP1A2CYP3A4MAPK1CLK4ALDH1A1 | |
| SCHEMBL20732984 | 0.74 | ACVR1 (0.59) | ACVR1PIK3CA | |
| SCHEMBL14189303 | 0.73 | CYP1A2 (0.72) | CYP1A2CYP3A4MAPK1CLK4ALDH1A1 | |
| SCHEMBL2163814 | 0.72 | NPC1 (0.72) | CYP1A2CYP3A4MAPK1CLK4ALDH1A1 | |
| SCHEMBL11769268 | 0.71 | HTR1A (0.54) | MAPK1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL22113713 | 0.70 | CYP1A2 (0.45) | CYP1A2CYP3A4MAPK1CLK4ALDH1A1 | |
| SCHEMBL22113889 | 0.70 | CYP1A2 (0.45) | CYP1A2CYP3A4MAPK1CLK4ALDH1A1 |
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 |