Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23770433 | 0.92 | PDE10A (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL23770444 | 0.91 | ADRB2 (0.42) | CYP1A2CYP2C9ADRB2CYP2C19ALDH1A1 | |
| SCHEMBL23770664 | 0.91 | NPY5R (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL23770859 | 0.90 | CYP1A2 (0.44) | CYP1A2CYP2C19ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL23770770 | 0.89 | ADRB2 (0.38) | CYP1A2CYP2C9ADRB2CYP2C19ALDH1A1 | |
| SCHEMBL23770453 | 0.89 | CYP1A2 (0.40) | CYP1A2CYP2C9ADRB2CYP2C19HTR7 | |
| SCHEMBL23770653 | 0.89 | CNR2 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4 | |
| SCHEMBL23770560 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2C9ADRB2CYP2C19HTR7 | |
| SCHEMBL23770840 | 0.88 | KDM4E (0.35) | CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL23770628 | 0.87 | CYP1A2 (0.42) | CYP1A2CYP2C9ADRB2CYP2C19HTR7 |
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 |