Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.69 |
| ▸ | ALDH2 | P05091 | 6/20 | 0.69 |
| ▸ | ALDH3A1 | P30838 | 6/20 | 0.69 |
| ▸ | PARK7 | Q99497 | 5/20 | 0.69 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27452440 | 0.90 | PARK7 (0.55) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL27914346 | 0.88 | ALDH1A1 (0.68) | ALDH1A1ALDH2ALDH3A1PARK7CES1 | |
| SCHEMBL28026200 | 0.85 | ALDH1A1 (0.50) | ALDH1A1ALDH2ALDH3A1PARK7CES1 | |
| SCHEMBL16799085 | 0.83 | ALDH1A1 (1.00) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| Hydrochloric Acid SCHEMBL27414414 | 0.83 | DRD2 (0.62) | ALDH1A1ALDH2ALDH3A1PARK7CES1 | |
| SCHEMBL27378723 | 0.82 | ALDH3A1 (0.56) | ALDH1A1ALDH2ALDH3A1PKM | |
| Hydrochloric Acid SCHEMBL27531896 | 0.81 | ALDH3A1 (0.55) | ALDH1A1ALDH2ALDH3A1PKM | |
| SCHEMBL27398519 | 0.80 | ACHE (0.58) | ALDH1A1ALDH3A1 | |
| SCHEMBL16111939 | 0.80 | ALDH1A1 (0.71) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL16048068 | 0.78 | ALDH1A1 (0.71) | ALDH1A1ALDH2ALDH3A1PARK7PKM |
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-106632315-A | Dissymmetrical disubstituted isatin Schiff base type compound with antitumor activity and compounding method thereof | 陕西科技大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-106632316-A | Asymmetric bis-substituted isatin Schiff base compound having antineoplastic activity and synthesis method thereof | 陕西科技大学 | 2017-05-10 | — | — | CN | disclosed |