Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | FLT4 | P35916 | 1/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
| ▸ | CLK2 | P49760 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13626425 | 0.79 | KDM4E (0.35) | CYP3A4ALOX15TSHRHIF1ATDP1 | |
| SCHEMBL18892375 | 0.77 | SLC40A1 (0.49) | NCF1KIF11PARP1SLC40A1 | |
| SCHEMBL28083151 | 0.77 | NCF1 (0.41) | NCF1CYP1A2CYP3A4ALOX15TSHR | |
| SCHEMBL19864754 | 0.77 | PSMD14 (0.37) | NCF1CYP1A2CYP3A4ALOX15TSHR | |
| SCHEMBL18980694 | 0.75 | NOTUM (0.35) | NCF1CYP1A2CYP3A4ALOX15TSHR | |
| SCHEMBL29722314 | 0.75 | NOTUM (0.35) | NCF1CYP1A2CYP3A4ALOX15TSHR | |
| SCHEMBL21890801 | 0.68 | IDO1 (0.43) | SLC40A1DYRK3PRKD3MAP4K4CDK1 | |
| SCHEMBL13494774 | 0.67 | CA2 (0.35) | CYP1A2CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL10840576 | 0.67 | MAPT (0.48) | NCF1CYP1A2CYP3A4ALOX15TSHR | |
| SCHEMBL19864661 | 0.66 | TLR7 (0.38) | NCF1 |
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-3844159-B1 | NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN LA ROCHE (CH) | 2023-05-03 | — | — | EP | disclosed |