Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | SUV39H2 | Q9H5I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL23770733 | 0.88 | PDE10A (0.32) | PHGDHMAPK10HSD17B10 | |
| SCHEMBL23770598 | 0.87 | ADRB2 (0.43) | ADRB2HTR3ACYP1A2HTR3EHTR3B | |
| SCHEMBL23770477 | 0.86 | MAPK10 (0.36) | CYP1A2PHGDHMAPK10HSD17B10HTR2C | |
| SCHEMBL19925629 | 0.81 | ADRB2 (0.39) | ADRB2HTR3ACYP1A2HTR3EHTR3B | |
| SCHEMBL23770643 | 0.81 | ADRB2 (0.37) | ADRB2HTR3ACYP1A2HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL19925392 | 0.81 | ADRB2 (0.40) | ADRB2HTR3ACYP1A2HTR3EHTR3B | |
| SCHEMBL23770622 | 0.78 | CTSL (0.36) | ADRB2HTR3AHTR3EHTR3BALDH1A1 | |
| SCHEMBL23770816 | 0.78 | PDE10A (0.35) | ALK | |
| SCHEMBL23770441 | 0.78 | HTR3E (0.43) | HTR3ACYP1A2HTR3EHTR3BALDH1A1 | |
| SCHEMBL23770812 | 0.74 | HSD11B1 (0.30) | SOS1 |
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 |