Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29967816 | 0.91 | PRMT6 (0.39) | PRMT6BACE1CYP3A4CSF1RGRM4 | |
| SCHEMBL29968294 | 0.87 | ROCK2 (0.38) | DYRK1AGRM4KCNA5 | |
| SCHEMBL29968061 | 0.86 | MAPK8 (0.35) | BACE1CSF1RUSP1WDR48GRM4 | |
| SCHEMBL29967591 | 0.85 | MAPK8 (0.41) | CLK4CSF1RDYRK1AGSK3B | |
| SCHEMBL29968291 | 0.83 | MAPK8 (0.35) | CSF1RDYRK1AGRM4 | |
| SCHEMBL29967968 | 0.81 | MAPK10 (0.44) | CLK4CSF1RDYRK1AGSK3B | |
| SCHEMBL29968331 | 0.79 | KDM4C (0.38) | KDM4ECSF1RDYRK1AGSK3B | |
| SCHEMBL29969002 | 0.79 | MAPK8 (0.34) | CLK4CSF1RDYRK1AGSK3BGRM4 | |
| SCHEMBL29968067 | 0.77 | ALDH1A1 (0.49) | CYP1A2CLK4CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28871215 | 0.77 | ALDH1A1 (0.49) | CYP1A2CLK4CYP3A4CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |