Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.32 |
| ▸ | CCNK | O75909 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310158 | 0.94 | MAP4K1 (0.37) | CTSCMAP4K1PDE2APDE10AITK | |
| SCHEMBL24310428 | 0.90 | MAP4K1 (0.38) | CTSCMAP4K1PDE2APDE10AITK | |
| SCHEMBL24309719 | 0.88 | MAP4K1 (0.37) | CTSCMAP4K1PDE2APDE10AITK | |
| SCHEMBL24310424 | 0.88 | PDE2A (0.41) | CTSCMAP4K1PDE2APDE10AITK | |
| SCHEMBL24310201 | 0.88 | MAP4K1 (0.32) | MAP4K1IGF1R | |
| SCHEMBL24309843 | 0.87 | CTSC (0.41) | CTSCMAP4K1IGF1RHRH4TACR1 | |
| SCHEMBL24309882 | 0.87 | MAP4K1 (0.37) | CTSCMAP4K1PDE2APDE10AITK | |
| SCHEMBL24309386 | 0.86 | JAK2 (0.37) | CTSCMAP4K1PDE2APDE10AITK | |
| SCHEMBL24310153 | 0.86 | CTSC (0.36) | CTSCMAP4K1IGF1RHRH4JAK2 | |
| SCHEMBL24309392 | 0.85 | BRD4 (0.37) | CTSCMAP4K1PDE2APDE10AITK |
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 |