Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.77 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.74 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.69 |
| ▸ | ALDH3A1 | P30838 | 9/20 | 0.69 |
| ▸ | ALDH2 | P05091 | 5/20 | 0.69 |
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.67 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL28053294 | 0.87 | ACHE (1.00) | ACHECHRM5ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL30937981 | 0.85 | CHRM5 (1.00) | CHRM5HSP90AA1ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL30937987 | 0.85 | CHRM5 (0.76) | CHRM5HSP90AA1ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL4597560 | 0.83 | ACHE (0.86) | ACHECHRM5ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL5659265 | 0.82 | ALDH1A1 (1.00) | ACHECHRM5ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL28093749 | 0.81 | CHRM5 (0.71) | CHRM5HSP90AA1ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL18954541 | 0.81 | CA1 (1.00) | CHRM5HSP90AA1ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL4597549 | 0.81 | CHRM5 (1.00) | ACHECHRM5HSP90AA1ALDH1A1ALDH3A1 | |
| SCHEMBL30937979 | 0.81 | CHRM5 (1.00) | ACHECHRM5HSP90AA1ALDH1A1ALDH3A1 | |
| SCHEMBL4734272 | 0.81 | PARK7 (1.00) | CHRM5HSP90AA1ALDH1A1ALDH3A1ALDH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118125961-A | 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof | 武汉大学人民医院（湖北省人民医院） | 2024-06-04 | — | — | CN | disclosed |