Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 5/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.34 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309771 | 1.00 | PTK2 (0.35) | PTK2BRD4BRAFKDRMAP4K1 | |
| SCHEMBL29567027 | 0.89 | BRD4 (0.35) | PTK2BRD4BRAFKDRMAP4K1 | |
| SCHEMBL24309451 | 0.89 | BRD4 (0.35) | PTK2BRD4BRAFKDRMAP4K1 | |
| SCHEMBL26808605 | 0.88 | HTR1A (0.34) | PTK2BRD4BRAFKDRSCN9A | |
| SCHEMBL29566398 | 0.87 | MAP4K3 (0.35) | BRD4MAP4K1MAP4K3SCN9AALK | |
| SCHEMBL24309437 | 0.87 | MAP4K3 (0.35) | BRD4MAP4K1MAP4K3SCN9AALK | |
| SCHEMBL24310648 | 0.87 | AURKA (0.37) | BRD4KDRLMNAMAPTHTT | |
| SCHEMBL29566415 | 0.87 | AURKA (0.37) | BRD4KDRLMNAMAPTHTT | |
| SCHEMBL24309367 | 0.87 | CTSC (0.42) | BRD4EGFRHTR7JAK2 | |
| SCHEMBL29566620 | 0.87 | CTSC (0.42) | BRD4EGFRHTR7JAK2 |
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 |