Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 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 | |
|---|---|---|---|---|
| SCHEMBL26808181 | 1.00 | ALDH1A1 (0.36) | ALDH1A1NPSR1HCRTR1HTR7HTR1A | |
| SCHEMBL24310080 | 0.92 | HTR1A (0.36) | ALDH1A1HTR7HTR1ALMNAGAA | |
| SCHEMBL29567132 | 0.92 | HTR1A (0.36) | ALDH1A1HTR7HTR1ALMNAGAA | |
| SCHEMBL26811536 | 0.91 | ALK (0.33) | HCRTR1HTR7HTR1APOLBJAK2 | |
| SCHEMBL29566767 | 0.89 | HCRTR1 (0.35) | ALDH1A1NPSR1HCRTR1HTR1APKM | |
| SCHEMBL24309320 | 0.89 | HCRTR1 (0.35) | ALDH1A1NPSR1HCRTR1HTR1APKM | |
| SCHEMBL29566988 | 0.87 | BRD9 (0.36) | ALDH1A1HTR7HTR1ALMNAGAA | |
| SCHEMBL24310146 | 0.87 | BRD9 (0.36) | ALDH1A1HTR7HTR1ALMNAGAA | |
| SCHEMBL24309321 | 0.86 | ALDH1A1 (0.36) | ALDH1A1NPSR1HTR7PKMLMNA | |
| SCHEMBL24309981 | 0.85 | HTR1A (0.33) | HTR7HTR1AJAK1JAK3HTR6 |
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 |