Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.37 |
| ▸ | DRD3 | P35462 | 5/20 | 0.37 |
| ▸ | DRD1 | P21728 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD5 | P21918 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.33 |
| ▸ | HTR7 | P34969 | 4/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.32 |
| ▸ | SLC8A1 | P32418 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310782 | 1.00 | DRD2 (0.37) | DRD2DRD3DRD1DRD4DRD5 | |
| SCHEMBL24310165 | 0.93 | GHSR (0.34) | DRD2DRD3DRD1DRD4DRD5 | |
| SCHEMBL29567193 | 0.93 | GHSR (0.34) | DRD2DRD3DRD1DRD4DRD5 | |
| SCHEMBL29567070 | 0.92 | SCN9A (0.40) | HTR1AHTR7SCN9ASLC8A1 | |
| SCHEMBL24310783 | 0.92 | SCN9A (0.40) | HTR1AHTR7SCN9ASLC8A1 | |
| SCHEMBL24310056 | 0.90 | HTR1A (0.34) | DRD2DRD3DRD1DRD4DRD5 | |
| SCHEMBL29566725 | 0.90 | HTR1A (0.34) | DRD2DRD3DRD1DRD4DRD5 | |
| SCHEMBL24309499 | 0.88 | HTR1A (0.34) | HTR1AHTR7TNK2SLC8A1 | |
| SCHEMBL29566422 | 0.88 | HTR1A (0.34) | HTR1AHTR7TNK2SLC8A1 | |
| SCHEMBL24310485 | 0.86 | DRD2 (0.33) | DRD2DRD3DRD1DRD4DRD5 |
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 |