Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10100499 | 0.85 | KEAP1 (0.55) | KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2 | |
| SCHEMBL842032 | 0.84 | HSD17B1 (0.50) | KEAP1KIF11KDM1ABRD4HSD17B1 | |
| SCHEMBL860476 | 0.84 | HSD17B1 (0.50) | KEAP1KIF11KDM1ABRD4HSD17B1 | |
| SCHEMBL245468 | 0.82 | MEN1 (0.60) | KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2 | |
| SCHEMBL244843 | 0.82 | KEAP1 (0.52) | KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2 | |
| SCHEMBL9763858 | 0.81 | ALDH1A1 (0.47) | KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2 | |
| SCHEMBL9005712 | 0.81 | ALDH1A1 (0.47) | KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2 | |
| SCHEMBL10858563 | 0.81 | ALDH1A1 (0.47) | KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2 | |
| SCHEMBL698855 | 0.80 | KEAP1 (0.70) | KEAP1ALDH1A1SMN1; SMN2POLBKIF11 | |
| SCHEMBL9654387 | 0.80 | ALDH1A1 (0.46) | KEAP1ALDH1A1SMN1; SMN2POLBMAPKAPK2 |
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-108929263-B | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-07-22 | — | — | CN | disclosed |
| CN-111108092-A | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-05-05 | — | — | CN | disclosed |
| CN-101619038-A | Isoquinoline compound or salt thereof, medicinal composition, preparation method and application thereof | SHANGHAI INST PHARM INDUSTRY | 2010-01-06 | — | — | CN | disclosed |
| WO-2009012375-A2 | SQUARATE KINASE INHIBITORS | WYETH (US) | 2009-01-22 | — | — | WO | disclosed |