Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.34 |
| ▸ | TK1 | P04183 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | DPYD | Q12882 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6464351 | 0.82 | PNP (0.47) | PNPALDH1A1TK1KDM4ECYP1A2 | |
| SCHEMBL2352519 | 0.76 | PNP (0.43) | PNPALDH1A1GDAMEN1KMT2A | |
| SCHEMBL7170412 | 0.74 | ALDH1A1 (0.41) | PNPALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL8356642 | 0.73 | PNP (0.41) | PNPALDH1A1GDAMEN1KMT2A | |
| SCHEMBL28648090 | 0.73 | PNP (0.44) | PNPALDH1A1GDAMEN1KMT2A | |
| SCHEMBL13007561 | 0.73 | PNP (0.41) | PNPALDH1A1GDAMEN1KMT2A | |
| SCHEMBL4560085 | 0.73 | GDA (0.53) | PNPALDH1A1GDATK1MEN1 | |
| SCHEMBL9949248 | 0.73 | PNP (0.41) | PNPALDH1A1GDAMEN1KMT2A | |
| SCHEMBL618978 | 0.73 | PNP (0.44) | PNPALDH1A1GDATK1MEN1 | |
| SCHEMBL2837687 | 0.73 | PNP (0.41) | PNPALDH1A1GDAMEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111333648-B | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-111333648-B | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-111333648-B | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-111333648-A | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-111333648-A | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-111333648-A | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2020-06-26 | — | — | CN | disclosed |