Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RGS4 | P49798 | 3/20 | 0.34 |
| ▸ | RGS8 | P57771 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL31337358 | 0.87 | CYP1A2 (0.36) | CYP1A2CYP2C19RECQLRGS4RGS8 | |
| SCHEMBL6944697 | 0.78 | MAPT (0.37) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4058851 | 0.75 | KMT2A (0.33) | ADORA2AALDH1A1KDM4EKMT2A | |
| Iodide SCHEMBL1609671 | 0.73 | KMT2A (0.32) | ADORA2AALDH1A1KDM4EKMT2A | |
| SCHEMBL5085666 | 0.73 | MAPK10 (0.44) | CYP1A2CYP2C19HSD17B10MAPTALDH1A1 | |
| SCHEMBL15075666 | 0.70 | ALDH1A1 (0.34) | CYP1A2CYP2C19PDE4APDE4BPDE4C | |
| SCHEMBL6421931 | 0.68 | KDM1A (0.39) | CYP2C19ADORA2APDE4APDE4BPDE4C | |
| SCHEMBL8803670 | 0.67 | TK1 (0.43) | CYP1A2CYP2C19HSD17B10MAPTALDH1A1 | |
| SCHEMBL7606573 | 0.67 | ADORA2A (0.36) | CYP1A2CYP2C19RECQLRGS4RGS8 | |
| SCHEMBL9392011 | 0.67 | KMT2A (0.38) | CYP1A2CYP2C19HSD17B10MAPTALDH1A1 |
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-B | Theophylline derived spontaneous combustion ionic salt and preparation method thereof | 哈尔滨工业大学（深圳） | 2024-11-15 | — | — | CN | disclosed |