Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.49 |
| ▸ | PDE5A | O76074 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871215 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28871308 | 0.87 | LMNA (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL29968287 | 0.87 | LMNA (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL29968347 | 0.86 | ADORA2A (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19PDE5A | |
| SCHEMBL28871277 | 0.86 | ADORA2A (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19PDE5A | |
| SCHEMBL28871315 | 0.78 | MAPK1 (0.48) | MAPK1CLK4HIF1AMAPK8 | |
| SCHEMBL28871216 | 0.76 | KDM1A (0.39) | MAPK1KCNA5KCNH2MAPK8 | |
| SCHEMBL29967585 | 0.76 | KDM1A (0.39) | MAPK1KCNA5KCNH2MAPK8 | |
| SCHEMBL29968299 | 0.74 | KIT (0.43) | MAPK1HIF1AMAPK8 | |
| SCHEMBL29967591 | 0.74 | MAPK8 (0.41) | CLK4MAPK8 |
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 |