Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | KRAS | P01116 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL23770551 | 0.88 | PTPN1 (0.36) | CYP1A2CYP2C19CYP3A4ALDH1A1PTPN1 | |
| SCHEMBL23770573 | 0.85 | CCNT1 (0.36) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL23770706 | 0.84 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL23770790 | 0.83 | IL1B (0.32) | — | |
| SCHEMBL23770617 | 0.82 | CYP1A2 (0.39) | CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL23770399 | 0.82 | PTPN1 (0.35) | CYP1A2CYP2C19CYP3A4ALDH1A1PTPN1 | |
| SCHEMBL23770433 | 0.81 | PDE10A (0.36) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL23770664 | 0.81 | NPY5R (0.36) | CYP1A2CYP2C19CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL19970087 | 0.79 | CCNT1 (0.35) | CYP1A2CYP2C19CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL23770405 | 0.78 | PTPN1 (0.31) | PTPN1 |
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 |