Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.35 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL2662469 | 0.84 | SLC6A2 (0.49) | GABRA1GABRB2SLC6A2SLC6A4KCNH2 | |
| SCHEMBL26013438 | 0.81 | GABRA1 (0.42) | GABRA1GABRB2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16956636 | 0.79 | PDCD1 (0.44) | SLC6A2SLC6A4SLC6A3KCNK3KCNK9 | |
| SCHEMBL13744996 | 0.79 | GABRA1 (0.48) | GABRA1GABRB2 | |
| SCHEMBL16707610 | 0.78 | HSD11B1 (0.41) | SLC6A2SLC6A4SLC6A3KCNK3KCNK9 | |
| SCHEMBL22781148 | 0.75 | GABRA1 (0.62) | GABRA1GABRB2SLC6A2SLC6A4KCNH2 | |
| SCHEMBL21283351 | 0.74 | GABRA1 (0.52) | GABRA1GABRB2SLC6A2SLC6A4KCNH2 | |
| SCHEMBL20847853 | 0.74 | KCNK3 (0.49) | KCNK3KCNK9 | |
| SCHEMBL16159968 | 0.74 | KCNK3 (0.49) | GABRA1GABRB2SLC6A2KCNK3KCNK9 | |
| SCHEMBL17449715 | 0.73 | KCNH2 (0.41) | SLC6A2SLC6A4KCNH2CYP2D6SLC6A3 |
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-2023154291-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |