Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.54 |
| ▸ | CASP7 | P55210 | 1/20 | 0.54 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | USP2 | O75604 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20733070 | 0.78 | CYP1A2 (0.57) | CYP1A2CYP3A4ALDH1A1CLK4MAPK1 | |
| SCHEMBL20732983 | 0.76 | ACVR1 (0.55) | TGFBR1ACVR1LRRK2 | |
| SCHEMBL20733069 | 0.75 | CYP1A2 (0.51) | CYP1A2CYP3A4ALDH1A1CLK4MAPK1 | |
| SCHEMBL264468 | 0.73 | TGFBR1 (0.51) | CYP1A2CYP3A4ALDH1A1LMNATGFBR1 | |
| SCHEMBL20732852 | 0.73 | LMNA (0.55) | CYP1A2CYP3A4ALDH1A1CLK4MAPK1 | |
| SCHEMBL25523543 | 0.73 | TGFBR1 (0.46) | CYP1A2CYP3A4ALDH1A1CLK4MAPK1 | |
| SCHEMBL20733053 | 0.72 | MAPKAPK2 (0.56) | CYP1A2CYP3A4ALDH1A1CLK4MAPK1 | |
| SCHEMBL25524046 | 0.70 | TGFBR1 (0.44) | TGFBR1MAPKAPK2GSK3B | |
| SCHEMBL17839692 | 0.70 | TGFBR1 (0.45) | CYP1A2CYP3A4ALDH1A1CLK4MAPK1 | |
| SCHEMBL264831 | 0.70 | CCNC (0.45) | CLK4TGFBR1 |
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 |