Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28641065 | 0.93 | TP53 (0.67) | ALDH1A1HSD17B10HPGDMAPTTP53 | |
| SCHEMBL28621577 | 0.90 | POLB (0.46) | ALDH1A1HSD17B10HPGDMAPTTP53 | |
| SCHEMBL28621580 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HPGDMAPTTP53 | |
| SCHEMBL28636610 | 0.82 | AKR1C3 (0.52) | ALDH1A1HSD17B10HPGDMAPTTP53 | |
| SCHEMBL28626014 | 0.81 | MAPT (0.65) | ALDH1A1HSD17B10MAPTTP53POLB | |
| SCHEMBL28625763 | 0.80 | MAPT (0.62) | ALDH1A1HSD17B10HPGDMAPTTP53 | |
| SCHEMBL28630602 | 0.79 | HPGD (0.53) | ALDH1A1HSD17B10HPGDMAPTTP53 | |
| SCHEMBL28629444 | 0.76 | CASP3 (0.53) | ALDH1A1HSD17B10HPGD | |
| SCHEMBL28641067 | 0.73 | MAPT (0.76) | ALDH1A1HSD17B10MAPTTP53POLB | |
| SCHEMBL981812 | 0.71 | MAPT (0.78) | ALDH1A1HSD17B10MAPTTP53POLB |
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-108715589-B | Coumarin derivative used as caspase-3 activator and application thereof | 华侨大学 | 2021-04-20 | — | — | CN | disclosed |