Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28973360 | 0.90 | NPSR1 (0.35) | NPSR1ADORA2BUSP2L3MBTL1LMNA | |
| Iodide SCHEMBL28973365 | 0.88 | ADORA2B (0.38) | NPSR1ADORA2BUSP2L3MBTL1LMNA | |
| SCHEMBL28973313 | 0.84 | ADORA2B (0.30) | ADORA2B | |
| SCHEMBL28973309 | 0.81 | CYP1A2 (0.31) | — | |
| SCHEMBL28973363 | 0.80 | — | — | |
| Iodide SCHEMBL28973306 | 0.77 | ADORA2B (0.38) | NPSR1ADORA2BUSP2L3MBTL1LMNA | |
| SCHEMBL28973318 | 0.76 | ADORA2B (0.30) | ADORA2B | |
| SCHEMBL28973359 | 0.73 | CYP1A2 (0.31) | — | |
| Iodide SCHEMBL28973307 | 0.70 | TSHR (0.31) | — | |
| Iodide SCHEMBL28973364 | 0.67 | CYP1A2 (0.35) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115850279-A | Theophylline derived autoignition ionic salt and preparation method thereof | 哈尔滨工业大学（深圳） | 2023-03-28 | — | — | CN | disclosed |