Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | PRKACG | P22612 | 1/20 | 0.32 |
| ▸ | PRKACB | P22694 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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) | KDM4EALDH1A1HPGDNPSR1PRKACA | |
| SCHEMBL20155602 | 0.80 | IP6K1 (0.40) | KDM4EALDH1A1HPGDPARP1JAK2 | |
| SCHEMBL20155622 | 0.79 | JAK2 (0.34) | KDM4EALDH1A1HPGDNPSR1PARP1 | |
| SCHEMBL22216158 | 0.74 | PARP1 (0.37) | KDM4EALDH1A1HPGDNPSR1PARP1 | |
| SCHEMBL20155157 | 0.72 | GSK3B (0.30) | — | |
| SCHEMBL20155613 | 0.70 | PARP1 (0.38) | KDM4EALDH1A1HPGDNPSR1PARP1 | |
| SCHEMBL24035859 | 0.70 | PARP1 (0.34) | KDM4EALDH1A1HPGDNPSR1PARP1 | |
| SCHEMBL20155606 | 0.68 | ATM (0.36) | ATMPOLBTHRB | |
| SCHEMBL20155563 | 0.68 | CNR2 (0.42) | KDM4EALDH1A1HPGDJAK2 | |
| SCHEMBL22206944 | 0.67 | CCNK (0.45) | ALDH1A1MEN1GAAMAPTKMT2A |
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 |