Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.67 |
| ▸ | CASP1 | P29466 | 4/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.67 |
| ▸ | HPGD | P15428 | 4/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | CASP7 | P55210 | 3/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | HBB | P68871 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9042905 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL1979202 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL5917389 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL1811522 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL1154675 | 1.00 | ALDH1A1 (0.67) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL9039265 | 0.93 | ALDH1A1 (0.68) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL16200967 | 0.87 | ALDH1A1 (0.55) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL30458681 | 0.84 | MEN1 (0.53) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL16144676 | 0.84 | MEN1 (0.53) | ALDH1A1HSD17B10CASP1HIF1AHPGD | |
| SCHEMBL19230417 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CASP1HIF1AHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114497662-B | Application of multi-electron hexaazanaphthalene compound in aqueous flow battery | 西安交通大学 | 2024-07-16 | — | — | CN | disclosed |
| CN-116254550-A | Method for in-situ electrosynthesis of sodium tricarboxylate hexaazanaphthalene electrode with regular morphology | 江苏科技大学 | 2023-06-13 | — | — | CN | disclosed |
| CN-112076395-B | Light emitting device and lighting device | 乐金显示有限公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-114634619-A | Polyimide, preparation method thereof and gas separation membrane | 中国科学院过程工程研究所 | 2022-06-17 | — | — | CN | disclosed |