Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CASP7 | P55210 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 6/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22113889 | 0.86 | CYP1A2 (0.45) | CYP1A2CYP3A4CLK4MAPK1ALDH1A1 | |
| SCHEMBL22070421 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4MAPK1ALDH1A1 | |
| SCHEMBL20732861 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4MAPK1ALDH1A1 | |
| SCHEMBL20733063 | 0.85 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4MAPK1ALDH1A1 | |
| SCHEMBL20732931 | 0.81 | ACVR1 (0.48) | ACVR1PIK3CA | |
| SCHEMBL20732926 | 0.79 | ACVR1 (0.46) | ACVR1 | |
| SCHEMBL22113894 | 0.77 | HPGD (0.36) | HPGDSLC22A12PIK3CAMTOR | |
| SCHEMBL20732852 | 0.76 | LMNA (0.55) | CYP1A2CYP3A4CLK4MAPK1ALDH1A1 | |
| SCHEMBL20732922 | 0.74 | MAPKAPK2 (0.53) | CYP1A2CYP3A4CLK4MAPK1ALDH1A1 | |
| SCHEMBL20733070 | 0.70 | CYP1A2 (0.57) | CYP1A2CYP3A4CLK4MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3666770-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS | Joint Stock Company "Biocad" (RU) | 2020-06-17 | — | — | EP | disclosed |