Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.34 |
| ▸ | HTR7 | P34969 | 5/20 | 0.34 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD5 | P21918 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310056 | 1.00 | HTR1A (0.34) | HTR1AHTR7SLC8A1CHRNB1CHRNB2 | |
| SCHEMBL24309499 | 0.98 | HTR1A (0.34) | HTR1AHTR7SLC8A1CHRNB1CHRNB2 | |
| SCHEMBL29566422 | 0.98 | HTR1A (0.34) | HTR1AHTR7SLC8A1CHRNB1CHRNB2 | |
| SCHEMBL29566882 | 0.91 | HTR1A (0.33) | HTR1AHTR7SLC8A1 | |
| SCHEMBL24310103 | 0.91 | HTR1A (0.33) | HTR1AHTR7SLC8A1 | |
| SCHEMBL24310782 | 0.90 | DRD2 (0.37) | HTR1AHTR7SLC8A1DRD2DRD1 | |
| SCHEMBL29566839 | 0.90 | DRD2 (0.37) | HTR1AHTR7SLC8A1DRD2DRD1 | |
| SCHEMBL24310783 | 0.90 | SCN9A (0.40) | HTR1AHTR7SLC8A1SCN9A | |
| SCHEMBL29567070 | 0.90 | SCN9A (0.40) | HTR1AHTR7SLC8A1SCN9A | |
| SCHEMBL24310777 | 0.85 | HTR1A (0.38) | HTR1AHTR7DRD3 |
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 |