Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NMT1 | P30419 | 2/20 | 0.35 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 7/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | HTR7 | P34969 | 3/20 | 0.32 |
| ▸ | MET | P08581 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310605 | 1.00 | NMT1 (0.35) | NMT1BDKRB1AXLPIK3CGFGFR4 | |
| SCHEMBL24310616 | 0.87 | HTR1A (0.34) | NMT1HTR1AHTR7JAK2JAK3 | |
| SCHEMBL29567020 | 0.87 | HTR1A (0.34) | NMT1HTR1AHTR7JAK2JAK3 | |
| SCHEMBL29567148 | 0.86 | HTR2C (0.38) | HTR1AHTR7JAK2JAK3PTK2 | |
| SCHEMBL24309738 | 0.86 | BRD4 (0.34) | HTR1AHTR7JAK2ALDH1A1TP53 | |
| SCHEMBL29567005 | 0.86 | BRD4 (0.34) | HTR1AHTR7JAK2ALDH1A1TP53 | |
| SCHEMBL24309863 | 0.86 | HTR2C (0.38) | HTR1AHTR7JAK2JAK3PTK2 | |
| SCHEMBL24310022 | 0.84 | EGFR (0.35) | HTR1AHTR7JAK3EGFRDRD2 | |
| SCHEMBL26811513 | 0.84 | AURKA (0.36) | AURKAAURKBHTR1AHTR7TP53 | |
| SCHEMBL24309890 | 0.84 | HTR1A (0.32) | HTR1AHTR7DRD2HTR6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |