Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL7156533 | 1.00 | HSP90AA1 (0.36) | HSP90AA1DHFRJAK3PDE10APDK2 | |
| SCHEMBL7158583 | 0.88 | HRH3 (0.37) | JAK3PDE10AKDM4ENOS2ALDH1A1 | |
| SCHEMBL7115027 | 0.86 | MEN1 (0.39) | DHFRPDE10AKDM4EALDH1A1 | |
| SCHEMBL8053438 | 0.84 | HSP90AA1 (0.37) | HSP90AA1DHFRPDE10APDK2PDK4 | |
| SCHEMBL7114777 | 0.84 | KCNH2 (0.40) | DHFRKDM4EALDH1A1 | |
| SCHEMBL2512668 | 0.84 | KCNH2 (0.40) | DHFRKDM4EALDH1A1 | |
| SCHEMBL10307332 | 0.83 | HSP90AA1 (0.36) | HSP90AA1DHFRJAK3PDE10APDK2 | |
| SCHEMBL30689655 | 0.83 | HSP90AA1 (0.36) | HSP90AA1DHFRJAK3PDE10APDK2 | |
| SCHEMBL108874 | 0.82 | JAK3 (0.35) | JAK3PDE10AKDM4EALDH1A1 | |
| SCHEMBL29666109 | 0.82 | JAK3 (0.35) | JAK3PDE10AKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117486811-A | Method for selectively forming substituted pyrazines | R.J.雷诺兹烟草公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-110637012-B | Method for selectively forming substituted pyrazines | R.J.雷诺兹烟草公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-109568166-B | Fragrance materials | 宝洁公司 | 2022-01-28 | — | — | CN | disclosed |