Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.35 |
| ▸ | HTR7 | P34969 | 6/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | PCK1 | P35558 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 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 | |
|---|---|---|---|---|
| SCHEMBL26812416 | 0.95 | BRD4 (0.35) | HTR1AHTR7BRD4SLC8A1BRAF | |
| SCHEMBL29567305 | 0.95 | BRD4 (0.35) | HTR1AHTR7BRD4SLC8A1BRAF | |
| SCHEMBL26808599 | 0.94 | BRD4 (0.35) | HTR1AHTR7BRD4SLC8A1BRAF | |
| SCHEMBL24309541 | 0.94 | HTR1A (0.34) | HTR1AHTR7BRD4SLC8A1BRAF | |
| SCHEMBL24310811 | 0.93 | HTR1A (0.36) | HTR1AHTR7BRD4SLC8A1PTK2 | |
| SCHEMBL29566898 | 0.93 | HTR1A (0.36) | HTR1AHTR7BRD4SLC8A1PTK2 | |
| SCHEMBL26808596 | 0.93 | HTR1A (0.36) | HTR1AHTR7SLC8A1BRAFKDR | |
| SCHEMBL26808563 | 0.92 | BRD4 (0.34) | HTR1AHTR7BRD4BRAFKDR | |
| SCHEMBL26808566 | 0.92 | SCN9A (0.36) | HTR1AHTR7BRD4SLC8A1BRAF | |
| SCHEMBL26808605 | 0.92 | HTR1A (0.34) | HTR1AHTR7BRD4SLC8A1BRAF |
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 3 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 |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |