Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 7/20 | 0.36 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | BLK | P51451 | 1/20 | 0.36 |
| ▸ | BMX | P51813 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | CCNK | O75909 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCND3 | P30281 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310422 | 1.00 | PDE2A (0.40) | PDE2APDE10ABRD4RAD52MAP4K1 | |
| SCHEMBL29567464 | 0.92 | HTR1A (0.41) | BRD4RAD52EGFRJAK2BLK | |
| SCHEMBL26808930 | 0.92 | HTR1A (0.41) | BRD4RAD52EGFRJAK2BLK | |
| SCHEMBL29567356 | 0.91 | RAD52 (0.39) | PDE2APDE10ABRD4RAD52MAP4K1 | |
| SCHEMBL26808704 | 0.91 | RAD52 (0.39) | PDE2APDE10ABRD4RAD52MAP4K1 | |
| SCHEMBL26808918 | 0.91 | RAD52 (0.39) | PDE2APDE10ABRD4RAD52MAP4K1 | |
| SCHEMBL24309887 | 0.89 | RAD52 (0.39) | PDE2APDE10ABRD4RAD52MAP4K1 | |
| SCHEMBL24310157 | 0.89 | RAD52 (0.38) | PDE2APDE10ABRD4RAD52MAP4K1 | |
| SCHEMBL29567333 | 0.89 | RAD52 (0.39) | PDE2APDE10ABRD4RAD52MAP4K1 | |
| SCHEMBL24309717 | 0.89 | RAD52 (0.39) | PDE2APDE10ABRD4RAD52MAP4K1 |
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 |