Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24331489 | 1.00 | ADORA2A (0.32) | ADORA2AGABRA1GABRB2ESR1KCNH2 | |
| SCHEMBL29515213 | 0.84 | GABRA1 (0.36) | ADORA2AGABRA1GABRB2HSP90AA1ADORA1 | |
| SCHEMBL24331524 | 0.84 | GABRA1 (0.36) | ADORA2AGABRA1GABRB2HSP90AA1ADORA1 | |
| SCHEMBL26688117 | 0.72 | ADORA2A (0.39) | ADORA2AGABRA1GABRB2HSP90AA1ADORA1 | |
| SCHEMBL29515168 | 0.72 | ADORA2A (0.39) | ADORA2AGABRA1GABRB2HSP90AA1ADORA1 | |
| SCHEMBL24330469 | 0.72 | XPO1 (0.34) | ADORA2AHSP90AA1 | |
| SCHEMBL24330556 | 0.72 | NOS3 (0.35) | ADORA2AHSP90AA1ADORA1 | |
| SCHEMBL29515019 | 0.72 | NOS3 (0.35) | ADORA2AHSP90AA1ADORA1 | |
| SCHEMBL24164925 | 0.71 | GABRA1 (0.47) | GABRA1GABRB2ESR1KCNH2 | |
| SCHEMBL14876773 | 0.69 | GABRA1 (0.56) | GABRA1GABRB2KCNH2 |
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 |