Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28973359 | 0.90 | CYP1A2 (0.31) | CYP1A2CYP2C19RECQL | |
| SCHEMBL31337358 | 0.89 | CYP1A2 (0.36) | CYP1A2CYP2C19RECQL | |
| SCHEMBL28973313 | 0.88 | ADORA2B (0.30) | — | |
| Iodide SCHEMBL28973364 | 0.88 | CYP1A2 (0.35) | CYP1A2CYP2C19RECQL | |
| SCHEMBL28973362 | 0.81 | NPSR1 (0.35) | — | |
| SCHEMBL28973363 | 0.81 | — | — | |
| SCHEMBL28973318 | 0.80 | ADORA2B (0.30) | — | |
| SCHEMBL31337271 | 0.78 | CYP1A2 (0.36) | CYP1A2CYP2C19RECQL | |
| Iodide SCHEMBL28973310 | 0.76 | CYP1A2 (0.35) | CYP1A2CYP2C19RECQL | |
| Iodide SCHEMBL28973307 | 0.74 | TSHR (0.31) | — |
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 |