Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.34 |
| ▸ | HTR3B | O95264 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL23770663 | 0.88 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19ADRB2ALDH1A1 | |
| SCHEMBL23770628 | 0.86 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19ADRB2ALDH1A1 | |
| SCHEMBL23770606 | 0.85 | ADRB2 (0.43) | CYP1A2CYP2C9CYP2C19ADRB2ALDH1A1 | |
| SCHEMBL23770453 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19ADRB2ALDH1A1 | |
| SCHEMBL23770444 | 0.82 | ADRB2 (0.42) | CYP1A2CYP2C9CYP2C19ADRB2ALDH1A1 | |
| SCHEMBL23770770 | 0.81 | ADRB2 (0.38) | CYP1A2CYP2C9CYP2C19ADRB2ALDH1A1 | |
| SCHEMBL23770632 | 0.81 | ADRB2 (0.42) | CYP1A2CYP2C9CYP2C19ADRB2ALDH1A1 | |
| SCHEMBL23770433 | 0.79 | PDE10A (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL23770664 | 0.79 | NPY5R (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL23770859 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2C19ALDH1A1KDM4EHTR3E |
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 |