Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.64 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310426 | 1.00 | ADORA2A (0.64) | ADORA2ANUDT1ADORA1SCN9AXDH | |
| SCHEMBL510728 | 0.80 | NPC1 (0.49) | ADORA2ANUDT1ADORA1XDHADORA2B | |
| SCHEMBL7143781 | 0.79 | ADORA2A (0.54) | ADORA2AADORA1ADORA2BMEN1ALDH1A1 | |
| SCHEMBL6447087 | 0.78 | ADORA1 (0.69) | ADORA2AADORA1ADORA2B | |
| SCHEMBL2326463 | 0.78 | ADORA2A (1.00) | ADORA2ANUDT1ADORA1ADORA2BMEN1 | |
| SCHEMBL16828235 | 0.78 | ADORA2A (0.55) | ADORA2ANUDT1ADORA1ADORA2BABCG2 | |
| SCHEMBL4559145 | 0.77 | ADORA2A (0.56) | ADORA2ANUDT1ADORA1SCN9AMEN1 | |
| SCHEMBL10117907 | 0.74 | ADORA2A (0.50) | ADORA2ANUDT1ADORA1XDHADORA2B | |
| Bropirimine SCHEMBL4321472 | 0.74 | ADORA2A (0.50) | ADORA2ANUDT1ADORA1XDHADORA2B | |
| SCHEMBL29541280 | 0.74 | ADORA2A (0.53) | ADORA2ANUDT1ADORA1XDHADORA2B |
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 |