Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 16/20 | 0.44 |
| ▸ | HTR7 | P34969 | 16/20 | 0.44 |
| ▸ | DRD2 | P14416 | 7/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26812611 | 1.00 | HTR1A (0.44) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL29567048 | 0.92 | HTR1A (0.41) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL24310223 | 0.92 | HTR1A (0.41) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL29566687 | 0.88 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL24309645 | 0.88 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL24309852 | 0.88 | HTR1A (0.46) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL29566476 | 0.88 | HTR1A (0.46) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL24310362 | 0.88 | HTR1A (0.45) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL29566633 | 0.88 | HTR1A (0.45) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL29567094 | 0.87 | HTR1A (0.38) | HTR1AHTR7KDM4E |
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 |