Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23770629 | 0.87 | PTPN1 (0.32) | PTPN1 | |
| SCHEMBL23770787 | 0.82 | PDE10A (0.35) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL23770621 | 0.81 | PDE10A (0.35) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL23770413 | 0.80 | CCNT1 (0.47) | — | |
| SCHEMBL23770480 | 0.79 | GRIN2B (0.33) | — | |
| SCHEMBL23770416 | 0.78 | PTPN11 (0.37) | MAPK1 | |
| SCHEMBL23770649 | 0.77 | PIM1 (0.34) | CYP1A2CYP2D6ALOX15 | |
| SCHEMBL23770712 | 0.77 | NPC1 (0.33) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL23770815 | 0.76 | CYP1A2 (0.39) | CYP1A2CYP2C19CYP3A4ALDH1A1PTPN1 | |
| SCHEMBL23770443 | 0.72 | CYP1A2 (0.37) | CYP1A2CYP2C19CYP3A4ALDH1A1PTPN1 |
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-3504194-B1 | N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2021-08-18 | — | — | EP | disclosed |