Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 4/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 3/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.34 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24332015 | 1.00 | ADORA2B (0.36) | ADORA2BADORA2ANQO2SRCGABRP | |
| SCHEMBL25351896 | 0.85 | GABRP (0.40) | ADORA2AGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL26870483 | 0.82 | TRPA1 (0.35) | SRCBACE1NUDT1MAPTHSP90AA1 | |
| SCHEMBL26892676 | 0.81 | NUDT1 (0.39) | SRCNUDT1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL31234990 | 0.75 | HSP90AA1 (0.36) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL24615642 | 0.75 | HSP90AA1 (0.36) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL19968794 | 0.72 | NOS3 (0.42) | SRCBACE1ALDH1A1MAPTNR4A2 | |
| SCHEMBL24331214 | 0.71 | BACE1 (0.34) | ADORA2BADORA2ABACE1SMN1; SMN2ALDH1A1 | |
| SCHEMBL29515462 | 0.71 | ADORA2A (0.36) | ADORA2ASRCGABRA1GABRB2NUDT1 | |
| SCHEMBL25351414 | 0.70 | SDHB (0.38) | ADORA2AGABRPGABRDGABRA1GABRB1 |
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-4225761-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076620-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |