Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310513 | 0.93 | MEN1 (0.33) | PAK1DRD2DRD4DRD3HTR1A | |
| SCHEMBL24310089 | 0.92 | DRD2 (0.35) | PAK1DRD2DRD4DRD3HTR1A | |
| SCHEMBL24309536 | 0.91 | BRPF1 (0.34) | PAK1DRD2DRD4DRD3HTR1A | |
| SCHEMBL24309479 | 0.91 | HTR1A (0.33) | PAK1DRD2DRD4DRD3HTR1A | |
| SCHEMBL24310065 | 0.90 | DRD2 (0.37) | PAK1DRD2DRD4DRD3HTR1A | |
| SCHEMBL24310772 | 0.89 | HTR1A (0.33) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL24309527 | 0.87 | DRD2 (0.39) | DRD2DRD4DRD3HTR1AHTR2A | |
| SCHEMBL24309430 | 0.85 | PAK1 (0.32) | PAK1DRD2DRD4DRD3HTR1A | |
| SCHEMBL24310048 | 0.85 | HTR1A (0.38) | PAK1DRD2DRD4DRD3HTR1A | |
| SCHEMBL29566746 | 0.85 | HTR1A (0.38) | PAK1DRD2DRD4DRD3HTR1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |