Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29664327 | 0.88 | GAA (0.53) | DRD2DRD4DRD3NAMPTGRM4 | |
| SCHEMBL29664346 | 0.84 | HPGD (0.53) | GRM4GAAALDH1A1NPC1RAB9A | |
| SCHEMBL29664519 | 0.82 | GAA (0.43) | GRM4GAAALDH1A1MEN1KMT2A | |
| SCHEMBL29664147 | 0.80 | EGFR (0.52) | GAAALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL23507791 | 0.78 | KDM1A (0.44) | DRD2DRD4DRD3ITGB1ITGA2 | |
| SCHEMBL15813925 | 0.78 | NAMPT (0.43) | DRD2DRD4DRD3ITGB1ITGA2 | |
| SCHEMBL20729411 | 0.74 | KCNH3 (0.41) | DRD2DRD4DRD3ITGB1ITGA2 | |
| SCHEMBL15815784 | 0.74 | NAMPT (0.43) | DRD2DRD4DRD3ITGB1ITGA2 | |
| SCHEMBL7807810 | 0.74 | NAMPT (0.70) | ITGB1ITGA2NAMPTKDM1AMAOA | |
| SCHEMBL16513605 | 0.73 | JAK2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114728909-A | Composition for preventing or treating cancer comprising novel trifluoromethylphenylpyrazole derivative as active ingredient | 韩国原子力医学院 | 2022-07-08 | — | — | CN | disclosed |