Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 4/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30007886 | 0.90 | GFER (0.47) | ALDH1A1GFERHTR7HTR6HTR2A | |
| SCHEMBL16913887 | 0.79 | LMNA (0.44) | ALDH1A1TP53GFERHTR7HTR6 | |
| SCHEMBL30007820 | 0.77 | TNIK (0.41) | MAPK1CYP3A4GAAKMT2A | |
| SCHEMBL30007952 | 0.76 | DRD4 (0.59) | ALDH1A1HTR2ADRD4DRD2DRD3 | |
| SCHEMBL29215986 | 0.76 | EGFR (0.47) | ALDH1A1HTR7HTR6HTR2ADRD4 | |
| SCHEMBL28604136 | 0.74 | SOS1 (0.42) | ALDH1A1JAK1DRD4DRD2DRD3 | |
| SCHEMBL22864675 | 0.70 | PDPK1 (0.52) | ALDH1A1CYP3A4LMNAKDM4EPDPK1 | |
| SCHEMBL31326336 | 0.68 | PLK4 (0.38) | DRD4DRD2DRD3HRH3PDPK1 | |
| SCHEMBL5198732 | 0.68 | ALDH1A1 (0.65) | ALDH1A1TP53HTR7HTR6HTR2A | |
| SCHEMBL31326325 | 0.67 | HTR2A (0.48) | HTR2ADRD4DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |