Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 5/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29967591 | 0.84 | MAPK8 (0.41) | MAP2K1MAPK8LRRK2PTGS2CLK4 | |
| SCHEMBL29967914 | 0.83 | AGTR2 (0.40) | MAPK8PTGS2KDRKITFLT3 | |
| SCHEMBL29967950 | 0.82 | PTGS2 (0.39) | MAPK8PTGS2KDRKITFLT3 | |
| SCHEMBL29967996 | 0.82 | ABL1 (0.38) | MAPK8PTGS2KDRKITFLT3 | |
| SCHEMBL29967707 | 0.77 | MAPK10 (0.43) | MAPK8CLK4KDRKITFLT3 | |
| SCHEMBL29968331 | 0.77 | KDM4C (0.38) | MAPK8KDRKITFLT3KDM4E | |
| SCHEMBL29967841 | 0.77 | KDR (0.40) | PTGS2KDRKITFLT3LCK | |
| SCHEMBL29967816 | 0.76 | PRMT6 (0.39) | MAPK8LRRK2CYP3A4CYP2C9KCNA5 | |
| SCHEMBL29967968 | 0.75 | MAPK10 (0.44) | MAPK8CLK4KDRKITFLT3 | |
| SCHEMBL31029249 | 0.75 | PTGS2 (0.35) | MAP2K1MAPK8LRRK2PTGS2CLK4 |
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 |