Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 6/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.33 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 3/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.32 |
| ▸ | SLC8A1 | P32418 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310421 | 1.00 | DRD2 (0.37) | DRD2HTR6HTR1AHTR7EGFR | |
| SCHEMBL29566602 | 0.93 | EGFR (0.36) | HTR6EGFRHRH4ALDH1A1TP53 | |
| SCHEMBL24310669 | 0.93 | EGFR (0.36) | HTR6EGFRHRH4ALDH1A1TP53 | |
| SCHEMBL24310689 | 0.89 | HTR7 (0.39) | DRD2HTR6HTR1AHTR7ALDH1A1 | |
| SCHEMBL26808691 | 0.85 | HTR1A (0.42) | DRD2HTR6HTR1AHTR7EGFR | |
| SCHEMBL26808689 | 0.82 | HTR1A (0.48) | DRD2HTR6HTR1AHTR7 | |
| SCHEMBL24309887 | 0.81 | RAD52 (0.39) | DRD2HTR6HTR1AHTR7ALDH1A1 | |
| SCHEMBL29567333 | 0.81 | RAD52 (0.39) | DRD2HTR6HTR1AHTR7ALDH1A1 | |
| SCHEMBL29566727 | 0.80 | HTR1A (0.44) | DRD2HTR6HTR1AHTR7 | |
| SCHEMBL24309371 | 0.80 | HTR1A (0.44) | DRD2HTR6HTR1AHTR7 |
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 |