Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CASP1 | P29466 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RGS12 | O14924 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28506858 | 1.00 | PARP1 (0.53) | PARP1CDK2ALDH1A1CASP1HPGD | |
| SCHEMBL14463494 | 0.84 | CASP1 (0.61) | PARP1CDK2ALDH1A1CASP1HPGD | |
| SCHEMBL31241414 | 0.75 | CES1 (0.63) | PARP1CDK2ALDH1A1CASP1HPGD | |
| SCHEMBL3079295 | 0.75 | CES1 (0.63) | PARP1CDK2ALDH1A1CASP1HPGD | |
| SCHEMBL29428940 | 0.74 | PARP1 (0.72) | PARP1ALDH1A1L3MBTL1NPSR1CDK5 | |
| SCHEMBL302763 | 0.74 | PARP1 (0.72) | PARP1ALDH1A1L3MBTL1NPSR1CDK5 | |
| SCHEMBL24317856 | 0.72 | NPSR1 (0.73) | PARP1MAPK1NPSR1MEN1MAPT | |
| SCHEMBL24317960 | 0.72 | PARP1 (0.53) | PARP1CASP1L3MBTL1NPSR1CASP7 | |
| SCHEMBL11174222 | 0.71 | CDK5 (0.59) | PARP1CDK2ALDH1A1CASP1HPGD | |
| SCHEMBL22549691 | 0.71 | CDK5 (0.55) | PARP1ALDH1A1CASP1HPGDHSD17B10 |
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-112239424-B | Preparation method of aristolochia alkaloids and intermediate thereof | 温州医科大学 | 2022-06-21 | — | — | CN | disclosed |