Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
| ▸ | RAF1 | P04049 | 2/20 | 0.31 |
| ▸ | BRAF | P15056 | 2/20 | 0.31 |
| ▸ | TTK | P33981 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 2/20 | 0.31 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.31 |
| ▸ | WNT1 | P04628 | 1/20 | 0.31 |
| ▸ | CLK2 | P49760 | 1/20 | 0.31 |
| ▸ | CLK3 | P49761 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.31 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309638 | 1.00 | HRH3 (0.40) | HRH3HRH1JAK1PARP1SCN9A | |
| SCHEMBL26807740 | 0.88 | HRH3 (0.40) | HRH3HRH1JAK1PARP1SCN9A | |
| SCHEMBL26807622 | 0.85 | HRH3 (0.43) | HRH3HRH1JAK1PARP1SCN9A | |
| SCHEMBL26807498 | 0.85 | HTR1A (0.40) | JAK1HTR1AHTR7SLC8A1 | |
| SCHEMBL26807733 | 0.84 | HRH3 (0.42) | HRH3HRH1JAK1PARP1SCN9A | |
| SCHEMBL29566701 | 0.84 | HRH3 (0.41) | HRH3HRH1JAK1PARP1SCN9A | |
| SCHEMBL24309639 | 0.84 | HRH3 (0.41) | HRH3HRH1JAK1PARP1SCN9A | |
| SCHEMBL26807737 | 0.83 | HRH3 (0.38) | HRH3HRH1JAK1PARP1SCN9A | |
| SCHEMBL24309812 | 0.83 | HRH3 (0.41) | HRH3HRH1JAK1PARP1SCN9A | |
| SCHEMBL24309468 | 0.83 | HRH3 (0.37) | HRH3HRH1PARP1SCN9AHTR1A |
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 |