Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 9/20 | 0.36 |
| ▸ | HTR7 | P34969 | 9/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | INSR | P06213 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 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 | |
|---|---|---|---|---|
| SCHEMBL26806663 | 1.00 | EGFR (0.38) | EGFRHTR1AHTR7ALKDRD2 | |
| SCHEMBL24310487 | 0.94 | EGFR (0.36) | EGFRHTR1AHTR7ALKDRD2 | |
| SCHEMBL29566648 | 0.94 | EGFR (0.36) | EGFRHTR1AHTR7ALKDRD2 | |
| SCHEMBL29566737 | 0.89 | HTR1A (0.35) | HTR1AHTR7ALKDRD2HTR6 | |
| SCHEMBL24309248 | 0.89 | HTR1A (0.35) | HTR1AHTR7ALKDRD2HTR6 | |
| SCHEMBL29566441 | 0.88 | HTR1A (0.38) | HTR1AHTR7ALKDRD2HTR6 | |
| SCHEMBL24309259 | 0.88 | HTR1A (0.38) | HTR1AHTR7ALKDRD2HTR6 | |
| SCHEMBL24310456 | 0.88 | HTR1A (0.39) | EGFRHTR1AHTR7HTR6HTR2A | |
| SCHEMBL29566903 | 0.88 | HTR1A (0.39) | EGFRHTR1AHTR7HTR6HTR2A | |
| SCHEMBL24309747 | 0.87 | HTR1A (0.37) | HTR1AHTR7ALKDRD2HTR6 |
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 |