Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29127007 | 1.00 | KDM4E (0.62) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29126973 | 0.87 | KDM4E (0.62) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL30932617 | 0.80 | KDM4E (0.62) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29229124 | 0.80 | ALDH1A1 (0.62) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29126970 | 0.80 | KDM4E (0.67) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL31612336 | 0.80 | ALDH1A1 (0.62) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29893306 | 0.80 | ALDH1A1 (0.62) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29229018 | 0.80 | KDM4E (0.62) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL31612371 | 0.80 | ALDH1A1 (0.62) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29229082 | 0.78 | KDM4E (0.63) | KDM4EALDH1A1HSD17B10GAAHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |