Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.48 |
| ▸ | PI4KA | P42356 | 2/20 | 0.48 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11562944 | 0.92 | CYP3A4 (0.60) | CYP3A4KCNH2PIK3CAPI4KAPI4KB | |
| SCHEMBL11414056 | 0.81 | CYP3A4 (1.00) | CYP3A4KCNH2CYP2D6TP53HTT | |
| SCHEMBL1853965 | 0.79 | CYP3A4 (0.62) | CYP3A4PIK3CAPI4KAPI4KBPIK3CD | |
| SCHEMBL15949870 | 0.78 | PDGFRB (0.52) | HTTSMN1; SMN2MAPTSTAT3 | |
| SCHEMBL11674379 | 0.76 | CYP3A4 (0.62) | CYP3A4KCNH2DRD2TP53SMN1; SMN2 | |
| SCHEMBL3309978 | 0.75 | CYP3A4 (0.81) | CYP3A4KCNH2CYP2D6TP53HTT | |
| SCHEMBL1847514 | 0.74 | PIK3CA (0.70) | CYP3A4PIK3CAPI4KAPI4KBPIK3CD | |
| SCHEMBL3480328 | 0.74 | CYP3A4 (0.46) | CYP3A4DRD2CYP2D6TP53HTT | |
| SCHEMBL29751999 | 0.74 | STAT3 (0.44) | CYP3A4DRD2HTTSMN1; SMN2MAPT | |
| SCHEMBL3480796 | 0.74 | CYP3A4 (0.46) | CYP3A4KCNH2DRD2CYP2D6TP53 |
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-4281442-A1 | INHIBITORS OF DYRK AND PIM | COLD SPRING HARBOR LABORATORY (US) | 2023-11-29 | — | — | EP | disclosed |
| WO-2022159436-A1 | INHIBITORS OF DYRK AND PIM | COLD SPRING HARBOR LABORATORY (US) | 2022-07-28 | — | — | WO | disclosed |