Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.39 |
| ▸ | HTR7 | P34969 | 6/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.35 |
| ▸ | PCK1 | P35558 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309798 | 1.00 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6TDP1 | |
| SCHEMBL29566724 | 0.93 | HTR1A (0.41) | HTR1AHTR7DRD2HTR6SCN9A | |
| SCHEMBL24309376 | 0.93 | HTR1A (0.41) | HTR1AHTR7DRD2HTR6SCN9A | |
| SCHEMBL29566768 | 0.92 | HTR1A (0.44) | HTR1AHTR7DRD2HTR6TDP1 | |
| SCHEMBL24309832 | 0.92 | HTR1A (0.44) | HTR1AHTR7DRD2HTR6TDP1 | |
| SCHEMBL26808695 | 0.90 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6SCN9A | |
| SCHEMBL26808700 | 0.89 | HTR1A (0.38) | HTR1AHTR7DRD2HTR6SCN9A | |
| SCHEMBL26808693 | 0.88 | HTR1A (0.44) | HTR1AHTR7DRD2HTR6HTR2A | |
| SCHEMBL24309371 | 0.87 | HTR1A (0.44) | HTR1AHTR7DRD2HTR6SCN9A | |
| SCHEMBL29566727 | 0.87 | HTR1A (0.44) | HTR1AHTR7DRD2HTR6SCN9A |
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 |