Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
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 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29126965 | 0.81 | ALDH1A1 (0.49) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29229042 | 0.80 | KDM4E (0.47) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL30932503 | 0.79 | KDM4E (0.54) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29229044 | 0.79 | KDM4E (0.54) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL30932533 | 0.76 | ALDH1A1 (0.50) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29229061 | 0.76 | ALDH1A1 (0.50) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29127003 | 0.72 | KDM4E (0.59) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL30932474 | 0.71 | ALDH1A1 (0.45) | KDM4EALDH1A1HSD17B10GAAHPGD | |
| SCHEMBL29229081 | 0.71 | ALDH1A1 (0.45) | 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 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 |