Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | PKLR | P30613 | 2/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3117995 | 0.89 | PARP1 (0.49) | PARP1AKR1C3PKLRAKT1PIK3CA | |
| SCHEMBL15300130 | 0.80 | PARP1 (0.39) | PARP1AKR1C3PKLRAKT1PIK3CA | |
| SCHEMBL743679 | 0.74 | NPSR1 (0.36) | PARP1 | |
| SCHEMBL29469917 | 0.74 | NPSR1 (0.36) | PARP1 | |
| SCHEMBL27754555 | 0.74 | PARP1 (0.36) | PARP1AKR1C3PKLR | |
| SCHEMBL7948613 | 0.73 | PARP1 (0.53) | PARP1AKR1C3PKLRAKT1PIK3CA | |
| SCHEMBL27593112 | 0.70 | PARP1 (0.45) | PARP1AKR1C3PKLRAKT1PIK3CA | |
| Hydrochloric Acid SCHEMBL28751198 | 0.69 | PARP1 (0.44) | PARP1AKR1C3PKLRAKT1PIK3CA | |
| SCHEMBL1156199 | 0.68 | ACLY (0.44) | HTR6 | |
| SCHEMBL26230854 | 0.68 | — | — |
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-113651766-B | Isoxazole sulfonamide compound with BRD4 inhibitory activity, and preparation method and application thereof | 泰州职业技术学院 | 2023-08-18 | — | — | CN | disclosed |
| CN-113651766-A | Isoxazole sulfonamide compound with BRD4 inhibitory activity and preparation method and application thereof | 泰州职业技术学院 | 2021-11-16 | — | — | CN | disclosed |