Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.34 |
| ▸ | HTR7 | P34969 | 6/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 8/20 | 0.33 |
| ▸ | JAK3 | P52333 | 6/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 6/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.33 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.32 |
| ▸ | NMT1 | P30419 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.30 |
| ▸ | PCK1 | P35558 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310440 | 1.00 | HTR1A (0.34) | HTR1AHTR7DRD2HTR6JAK2 | |
| SCHEMBL24310616 | 0.91 | HTR1A (0.34) | HTR1AHTR7DRD2HTR6JAK2 | |
| SCHEMBL29567020 | 0.91 | HTR1A (0.34) | HTR1AHTR7DRD2HTR6JAK2 | |
| SCHEMBL29566844 | 0.90 | PTK2 (0.34) | HTR1AHTR7DRD2HTR6JAK2 | |
| SCHEMBL24310411 | 0.90 | PTK2 (0.34) | HTR1AHTR7DRD2HTR6JAK2 | |
| SCHEMBL24309436 | 0.89 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6JAK2 | |
| SCHEMBL24309960 | 0.88 | PTK2 (0.32) | HTR1AHTR7DRD2HTR6JAK2 | |
| SCHEMBL29566521 | 0.85 | HTR1A (0.38) | HTR1AHTR7DRD2HTR6NMT1 | |
| SCHEMBL24310452 | 0.85 | HTR1A (0.38) | HTR1AHTR7DRD2HTR6NMT1 | |
| SCHEMBL24309993 | 0.84 | BRD4 (0.36) | HTR1AHTR7DRD2HTR6JAK2 |
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 |