Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.62 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28799598 | 0.88 | ALDH3A1 (0.65) | ALDH3A1ALDH1A1ALDH2HDAC1HDAC6 | |
| SCHEMBL28464687 | 0.88 | ACHE (0.73) | ALDH3A1ALDH1A1ALDH2HDAC1HDAC6 | |
| SCHEMBL28469301 | 0.86 | HDAC1 (0.55) | ALDH3A1ALDH1A1ALDH2HDAC1HDAC6 | |
| SCHEMBL28470163 | 0.84 | ALDH3A1 (0.62) | ALDH3A1ALDH1A1ALDH2ACHECA12 | |
| SCHEMBL29869527 | 0.84 | ALDH3A1 (0.82) | ALDH3A1ALDH1A1ALDH2ACHECA12 | |
| SCHEMBL11186018 | 0.84 | ALDH3A1 (0.82) | ALDH3A1ALDH1A1ALDH2ACHECA12 | |
| SCHEMBL28462499 | 0.83 | HDAC1 (0.72) | ALDH3A1ALDH1A1ALDH2HDAC1HDAC6 | |
| SCHEMBL29699570 | 0.82 | CASP3 (0.67) | ALDH1A1HDAC1HDAC6HDAC8HDAC7 | |
| SCHEMBL28799594 | 0.82 | CASP3 (0.67) | ALDH1A1HDAC1HDAC6HDAC8HDAC7 | |
| SCHEMBL30387645 | 0.80 | APAF1 (0.57) | ALDH3A1ALDH1A1ALDH2ACHECA12 |
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-111747883-B | 1-benzyl isatin derivative and synthesis method and application thereof | 中南大学 | 2022-07-01 | — | — | CN | disclosed |
| CN-111747883-A | 1-benzyl isatin derivative and synthesis method and application thereof | 中南大学 | 2020-10-09 | — | — | CN | disclosed |