Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 7/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 7/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14560461 | 0.89 | LCK (0.53) | NR1H2NR1H3LCKPTGS2GAA | |
| Benzene SCHEMBL28080829 | 0.89 | LCK (0.53) | NR1H2NR1H3LCKPTGS2GAA | |
| SCHEMBL6310937 | 0.87 | LCK (0.57) | NR1H2NR1H3LCKPTGS2PDE4B | |
| SCHEMBL14560466 | 0.87 | ALDH1A1 (0.53) | NR1H2NR1H3LCKALDH1A1 | |
| SCHEMBL29644731 | 0.85 | CDC25A (0.54) | LCKPTGS2ALDH1A1 | |
| SCHEMBL14560467 | 0.85 | CDC25A (0.54) | LCKPTGS2ALDH1A1 | |
| SCHEMBL14560459 | 0.83 | NR1H2 (0.69) | NR1H2NR1H3LCKPTGS2KDM4E | |
| SCHEMBL29644739 | 0.82 | LCK (0.57) | NR1H2NR1H3LCKMEN1KMT2A | |
| SCHEMBL14560470 | 0.80 | LCK (0.49) | NR1H2NR1H3LCKPTGS2ALDH1A1 | |
| SCHEMBL29644723 | 0.79 | GSTP1 (0.44) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 |
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-114456100-A | Method for preparing maleimide through cyclization of aryl acetaldehyde and primary amine | 长沙资材科技有限公司 | 2022-05-10 | — | — | CN | disclosed |
| US-7192967-B1 | Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents | ASTELLAS PHARMA GMBH (DE) | 2007-03-20 | — | — | US | disclosed |