Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 11/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155518 | 0.83 | KDM4E (0.36) | JAK2KDM4EALDH1A1HPGDPARP1 | |
| SCHEMBL20155488 | 0.79 | KDM4E (0.42) | JAK2KDM4EALDH1A1HPGDPARP1 | |
| SCHEMBL26762804 | 0.76 | ADORA2A (0.36) | JAK2KDM4EALDH1A1HPGDKCNH2 | |
| SCHEMBL22216158 | 0.74 | PARP1 (0.37) | JAK2KDM4EALDH1A1HPGDPARP1 | |
| SCHEMBL20155732 | 0.72 | GSK3B (0.30) | — | |
| SCHEMBL20155602 | 0.71 | IP6K1 (0.40) | JAK2KDM4EALDH1A1HPGDPARP1 | |
| SCHEMBL20155613 | 0.70 | PARP1 (0.38) | KDM4EALDH1A1HPGDPARP1NPSR1 | |
| SCHEMBL24035859 | 0.70 | PARP1 (0.34) | JAK2KDM4EALDH1A1HPGDPARP1 | |
| SCHEMBL20155081 | 0.68 | NR4A2 (0.31) | — | |
| SCHEMBL22216194 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |