Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | BPTF | Q12830 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23770669 | 0.90 | HTR3A (0.40) | HTR3EHTR3BALDH1A1HTR3AHTR3D | |
| SCHEMBL23770770 | 0.88 | ADRB2 (0.38) | ADRB2HTR3EHTR3BALDH1A1HTR3A | |
| SCHEMBL23770489 | 0.86 | HSD11B1 (0.33) | HSD11B1CNR2CNR1WDR5KRAS | |
| SCHEMBL23770606 | 0.86 | ADRB2 (0.43) | ADRB2HTR3EHTR3BALDH1A1HTR3A | |
| SCHEMBL23770651 | 0.84 | RORC (0.38) | HSD11B1CNR2CNR1KCNH2PTPN11 | |
| SCHEMBL23770453 | 0.82 | CYP1A2 (0.40) | ADRB2HTR3EHTR3BALDH1A1HTR3A | |
| SCHEMBL23770663 | 0.82 | CYP1A2 (0.43) | ADRB2HTR3EHTR3BALDH1A1HTR3A | |
| SCHEMBL23770560 | 0.81 | CYP1A2 (0.45) | ADRB2HTR3EHTR3BALDH1A1HTR3A | |
| SCHEMBL19927792 | 0.81 | ADRB2 (0.41) | ADRB2HTR3EHTR3BALDH1A1HTR3A | |
| SCHEMBL29464363 | 0.81 | ADRB2 (0.41) | ADRB2HTR3EHTR3BALDH1A1HTR3A |
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 |