Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 11/20 | 0.35 |
| ▸ | HTR1A | P08908 | 5/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | INSR | P06213 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310029 | 1.00 | HTR6 (0.35) | HTR6HTR1AHTR2ADRD2DRD4 | |
| SCHEMBL24309483 | 0.92 | HTR1A (0.41) | HTR6HTR1AHTR2ADRD2DRD4 | |
| SCHEMBL29566556 | 0.92 | HTR1A (0.41) | HTR6HTR1AHTR2ADRD2DRD4 | |
| SCHEMBL29566934 | 0.84 | HTR7 (0.39) | HTR6HTR1AHTR2ADRD2HTR2C | |
| SCHEMBL24310020 | 0.84 | HTR7 (0.39) | HTR6HTR1AHTR2ADRD2HTR2C | |
| SCHEMBL24309320 | 0.83 | HCRTR1 (0.35) | HTR6HTR1AHTR2ADRD2DRD4 | |
| SCHEMBL29566767 | 0.83 | HCRTR1 (0.35) | HTR6HTR1AHTR2ADRD2DRD4 | |
| SCHEMBL24310358 | 0.83 | BRD9 (0.36) | HTR6HTR1AHTR2ADRD2DRD4 | |
| SCHEMBL24310629 | 0.83 | HTR1A (0.36) | HTR6HTR1AHTR2ADRD2KMT2A | |
| SCHEMBL29566939 | 0.83 | BRD9 (0.36) | HTR6HTR1AHTR2ADRD2DRD4 |
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 |