Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.32 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 3/20 | 0.31 |
| ▸ | HTR7 | P34969 | 3/20 | 0.31 |
| ▸ | ROS1 | P08922 | 1/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309721 | 1.00 | ALDH1A1 (0.32) | ALDH1A1TP53GAAHPGDHTR6 | |
| SCHEMBL24309863 | 0.87 | HTR2C (0.38) | ALDH1A1TP53GAAHPGDHTR6 | |
| SCHEMBL29567148 | 0.87 | HTR2C (0.38) | ALDH1A1TP53GAAHPGDHTR6 | |
| SCHEMBL29566939 | 0.86 | BRD9 (0.36) | ALDH1A1TP53GAAHPGDHTR6 | |
| SCHEMBL24310358 | 0.86 | BRD9 (0.36) | ALDH1A1TP53GAAHPGDHTR6 | |
| SCHEMBL24309528 | 0.86 | HTR1A (0.37) | ALDH1A1TP53GAAHPGDHTR6 | |
| SCHEMBL29567005 | 0.86 | BRD4 (0.34) | ALDH1A1TP53GAAHPGDHTR6 | |
| SCHEMBL24309738 | 0.86 | BRD4 (0.34) | ALDH1A1TP53GAAHPGDHTR6 | |
| SCHEMBL24310598 | 0.84 | EGFR (0.34) | BRD4ALK | |
| SCHEMBL29567284 | 0.84 | EGFR (0.34) | BRD4ALK |
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 |