Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.35 |
| ▸ | HTR7 | P34969 | 4/20 | 0.35 |
| ▸ | HTR6 | P50406 | 6/20 | 0.33 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 4/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310708 | 1.00 | HTR1A (0.35) | HTR1AHTR7HTR6EGFRBRAF | |
| SCHEMBL26808935 | 0.93 | HTR1A (0.36) | HTR1AHTR7HTR6EGFRDRD2 | |
| SCHEMBL29566944 | 0.93 | HTR1A (0.36) | HTR1AHTR7HTR6EGFRDRD2 | |
| SCHEMBL29566582 | 0.92 | HTR1A (0.36) | HTR1AHTR7HTR6EGFRDRD2 | |
| SCHEMBL24310703 | 0.92 | HTR1A (0.36) | HTR1AHTR7HTR6EGFRDRD2 | |
| SCHEMBL26808707 | 0.92 | HTR6 (0.37) | HTR1AHTR7HTR6EGFRDRD2 | |
| SCHEMBL26808486 | 0.91 | HTR1A (0.34) | HTR1AHTR7HTR6EGFRDRD2 | |
| SCHEMBL29567132 | 0.90 | HTR1A (0.36) | HTR1AHTR7HTR6EGFRDRD2 | |
| SCHEMBL24310080 | 0.90 | HTR1A (0.36) | HTR1AHTR7HTR6EGFRDRD2 | |
| SCHEMBL24310556 | 0.90 | HTR1A (0.36) | HTR1AHTR7HTR6EGFRDRD2 |
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 |