Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | ALDH3A1 | P30838 | 6/20 | 0.66 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.62 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.55 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28468477 | 0.88 | ALDH3A1 (0.64) | ACHEALDH1A1ALDH3A1ALDH2HDAC1 | |
| SCHEMBL28799632 | 0.87 | ALDH1A1 (0.65) | ACHEALDH1A1ALDH3A1ALDH2HDAC1 | |
| SCHEMBL28469301 | 0.86 | HDAC1 (0.55) | ACHEALDH1A1ALDH3A1ALDH2HDAC1 | |
| SCHEMBL28469805 | 0.85 | ACHE (0.70) | ACHEALDH1A1ALDH3A1ALDH2CUL4A | |
| SCHEMBL28053294 | 0.85 | ACHE (1.00) | ACHEALDH1A1ALDH3A1ALDH2CUL4A | |
| SCHEMBL28462499 | 0.83 | HDAC1 (0.72) | ACHEALDH1A1ALDH3A1ALDH2HDAC1 | |
| SCHEMBL29699570 | 0.82 | CASP3 (0.67) | ACHEALDH1A1HDAC1HDAC6HDAC8 | |
| SCHEMBL28799594 | 0.82 | CASP3 (0.67) | ACHEALDH1A1HDAC1HDAC6HDAC8 | |
| SCHEMBL4597560 | 0.81 | ACHE (0.86) | ACHEALDH1A1ALDH3A1ALDH2CUL4A | |
| SCHEMBL5659265 | 0.80 | ALDH1A1 (1.00) | ACHEALDH1A1ALDH3A1ALDH2CUL4A |
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 |