Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30657606 | 0.81 | KDM4E (0.54) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL29126972 | 0.81 | KDM4E (0.54) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL29229042 | 0.75 | KDM4E (0.47) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL29127003 | 0.71 | KDM4E (0.59) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL29229044 | 0.71 | KDM4E (0.54) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL30932503 | 0.71 | KDM4E (0.54) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL29126956 | 0.70 | KDM4E (0.62) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL30932474 | 0.70 | ALDH1A1 (0.45) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL29229081 | 0.70 | ALDH1A1 (0.45) | ALDH1A1KDM4EHSD17B10HPGDGAA | |
| SCHEMBL30932533 | 0.68 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10HPGDGAA |
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-118184632-A | Pyrrolo [1,2-a ] quinoxaline compound synthesized from aminopyrrole arene and carbon dioxide and synthesis method thereof | 陕西科技大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-117143104-A | Pyrrolo [1,2-a ] quinoxaline compound synthesized from nitropyrrole aromatic hydrocarbon and carbon dioxide and synthesis method thereof | 陕西科技大学 | 2023-12-01 | — | — | CN | disclosed |