Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | CCND3 | P30281 | 2/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | CTSC | P53634 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.31 |
| ▸ | RPS6KA3 | P51812 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309882 | 0.92 | MAP4K1 (0.37) | PDE2APDE10AITKCCND3CDK6 | |
| SCHEMBL24309719 | 0.86 | MAP4K1 (0.37) | PDE2APDE10AITKCCND3CDK6 | |
| SCHEMBL24310689 | 0.83 | HTR7 (0.39) | PDE2APDE10AITKBRD4MAP3K7 | |
| SCHEMBL24310046 | 0.82 | LTA4H (0.34) | EGFRCDK1CDK4CCNA2TNK2 | |
| SCHEMBL24309392 | 0.81 | BRD4 (0.37) | PDE2APDE10AITKCCND3CDK6 | |
| SCHEMBL24310424 | 0.81 | PDE2A (0.41) | PDE2APDE10AITKCCND3CDK6 | |
| SCHEMBL24310428 | 0.81 | MAP4K1 (0.38) | PDE2APDE10AITKCCND3CDK6 | |
| SCHEMBL24310158 | 0.80 | MAP4K1 (0.37) | PDE2APDE10AITKCCND3CDK6 | |
| SCHEMBL24310171 | 0.79 | CTSC (0.36) | PDE2APDE10AITKCCND3CDK6 | |
| SCHEMBL24309791 | 0.77 | AXL (0.33) | — |
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 |