Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 4/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.32 |
| ▸ | ESRRB | O95718 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14281968 | 0.83 | GABRA1 (0.39) | HSD17B3GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL30320265 | 0.83 | GABRA1 (0.39) | HSD17B3GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL9786669 | 0.82 | HSD17B3 (0.35) | HSD17B3 | |
| SCHEMBL17699137 | 0.78 | ATM (0.35) | HSD17B3GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL30982344 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL5442460 | 0.73 | CYP1B1 (0.34) | HSD17B3GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL28174921 | 0.73 | MEN1 (0.35) | HSD17B3GABRA1GABRB2ALDH1A1KDM4E | |
| SCHEMBL3205225 | 0.73 | GRIN2D (0.50) | GABRA1GABRB2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL28873788 | 0.72 | CYP3A4 (0.44) | ALDH1A1KDM4EMAPTHPGDPOLB | |
| SCHEMBL5749079 | 0.72 | KMT2A (0.41) | ALDH1A1KDM4EMAPTHPGDMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114653344-A | Triazole gel material, preparation method thereof and application of triazole gel material in adsorption of organic pollutants | 中山大学 | 2022-06-24 | — | — | CN | claimed |
| CN-113603716-A | Polycyclic aromatic hydrocarbon silane coupling agent with strong fluorescence characteristic and green efficient preparation and application thereof | 山东硅科新材料有限公司 | 2021-11-05 | — | — | CN | disclosed |
| CN-109762085-B | Compression-resistant polyaryne nanosheet and preparation method thereof | 中国科学院合肥物质科学研究院 | 2021-06-01 | — | — | CN | disclosed |