Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 10/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.31 |
| ▸ | NUAK2 | Q9H093 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309589 | 0.90 | EGFR (0.34) | CTSCEGFRIGF1RHRH4BRD4 | |
| SCHEMBL24310776 | 0.89 | CTSC (0.37) | CTSCEGFRIGF1RHRH4MAP4K1 | |
| SCHEMBL24310068 | 0.85 | EGFR (0.35) | CTSCEGFRIGF1RHRH4MAP4K1 | |
| SCHEMBL29566777 | 0.84 | CTSC (0.39) | CTSCEGFRBRD4TNK2JAK2 | |
| SCHEMBL24310093 | 0.84 | CTSC (0.39) | CTSCEGFRBRD4TNK2JAK2 | |
| SCHEMBL24310186 | 0.81 | CTSC (0.35) | CTSCEGFRIGF1RHRH4MAP4K1 | |
| SCHEMBL24310543 | 0.81 | MAP4K1 (0.39) | EGFRIGF1RHRH4BRD4MAP4K1 | |
| SCHEMBL24310531 | 0.80 | CTSC (0.32) | CTSCIGF1RMAP4K1TACR1 | |
| SCHEMBL24310071 | 0.77 | LCK (0.35) | EGFRIGF1RTNK2JAK3 | |
| SCHEMBL26811481 | 0.75 | HTR2C (0.40) | CTSCEGFRHRH4BRD4TNK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |