Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6101986 | 0.80 | BRD4 (0.33) | — | |
| SCHEMBL8354136 | 0.76 | KDM4E (0.39) | ALDH1A1HPGDHTR6 | |
| SCHEMBL6099356 | 0.73 | PTGS2 (0.39) | ALDH1A1HPGDHSD17B10HTR6 | |
| SCHEMBL6099817 | 0.72 | ADORA3 (0.31) | ALDH1A1 | |
| SCHEMBL6101381 | 0.70 | BRD4 (0.39) | ALDH1A1HPGD | |
| SCHEMBL6101905 | 0.70 | KDR (0.36) | TLR8ALDH1A1HPGDHSD17B10 | |
| SCHEMBL6102198 | 0.69 | HTR6 (0.39) | KCNH2HTR6 | |
| SCHEMBL7505740 | 0.62 | LMNA (0.51) | TLR8KCNH2TYMP | |
| SCHEMBL8353834 | 0.62 | ADORA3 (0.40) | ALDH1A1 | |
| SCHEMBL12643820 | 0.62 | — | — |
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-2003006471-A1 | HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2003-01-23 | — | — | WO | disclosed |