Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.35 |
| ▸ | HTR7 | P34969 | 6/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 9/20 | 0.34 |
| ▸ | INSR | P06213 | 7/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.32 |
| ▸ | NPM1 | P06748 | 4/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309894 | 1.00 | HTR1A (0.35) | HTR1AHTR7DRD2HTR6ALK | |
| SCHEMBL26808714 | 0.92 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6KCNH2 | |
| SCHEMBL26808698 | 0.90 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL24309436 | 0.90 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL24309783 | 0.90 | HTR1A (0.37) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL29567061 | 0.90 | HTR1A (0.37) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL24309924 | 0.89 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL29566959 | 0.89 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL29566432 | 0.89 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL24310732 | 0.89 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6SLC8A1 |
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 |