Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.33 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.32 |
| ▸ | ERG | P11308 | 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 | |
|---|---|---|---|---|
| SCHEMBL23770770 | 0.89 | ADRB2 (0.38) | ADRB2CYP1A2CYP2C9HTR2CCYP2C19 | |
| SCHEMBL23770663 | 0.87 | CYP1A2 (0.43) | ADRB2CYP1A2CYP2C9HTR2CCYP2C19 | |
| SCHEMBL23770444 | 0.83 | ADRB2 (0.42) | ADRB2CYP1A2CYP2C9HTR2CCYP2C19 | |
| SCHEMBL23770652 | 0.83 | HSD11B1 (0.32) | ALDH1A1 | |
| SCHEMBL19951408 | 0.82 | ADRB2 (0.35) | ADRB2CYP1A2CYP2C9JAK2JAK3 | |
| SCHEMBL23770453 | 0.82 | CYP1A2 (0.40) | ADRB2CYP1A2CYP2C9PIM1CYP2C19 | |
| SCHEMBL23770452 | 0.80 | PDE10A (0.34) | — | |
| SCHEMBL23770466 | 0.80 | CYP1A2 (0.37) | CYP1A2CYP2C19DRD2SOS1HTR3E | |
| SCHEMBL23770560 | 0.79 | CYP1A2 (0.45) | ADRB2CYP1A2CYP2C9HTR2CPIM1 | |
| SCHEMBL23770433 | 0.79 | PDE10A (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1 |
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 |