Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309950 | 1.00 | PAK1 (0.36) | PAK1EGFRDRD2DRD4DRD3 | |
| SCHEMBL24309428 | 0.94 | EGFR (0.32) | PAK1EGFRDRD2DRD4DRD3 | |
| SCHEMBL29566832 | 0.94 | EGFR (0.32) | PAK1EGFRDRD2DRD4DRD3 | |
| SCHEMBL24309904 | 0.93 | HTR1A (0.33) | PAK1EGFRDRD2DRD4DRD3 | |
| SCHEMBL29567063 | 0.92 | EGFR (0.36) | EGFRDRD2DRD4DRD3TNK2 | |
| SCHEMBL24309999 | 0.92 | EGFR (0.36) | EGFRDRD2DRD4DRD3TNK2 | |
| SCHEMBL29566593 | 0.92 | DRD2 (0.36) | PAK1DRD2DRD4DRD3CFTR | |
| SCHEMBL24310048 | 0.92 | HTR1A (0.38) | PAK1EGFRDRD2DRD4DRD3 | |
| SCHEMBL24309884 | 0.92 | DRD2 (0.36) | PAK1DRD2DRD4DRD3CFTR | |
| SCHEMBL29566746 | 0.92 | HTR1A (0.38) | PAK1EGFRDRD2DRD4DRD3 |
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 |