Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | TYMS | P04818 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2257236 | 1.00 | PARP1 (0.57) | PARP1KDM4EHSD17B10LMNATNKS2 | |
| SCHEMBL7428429 | 0.88 | PARP1 (0.54) | PARP1KDM4EHSD17B10LMNATNKS2 | |
| SCHEMBL3020634 | 0.83 | PARP1 (0.56) | PARP1LMNATNKS2ALDH1A1NPC1 | |
| SCHEMBL28872357 | 0.83 | PARP1 (0.56) | PARP1TNKS2ALDH1A1NPC1MAPT | |
| SCHEMBL9128820 | 0.82 | TNKS2 (0.56) | PARP1KDM4ELMNATNKS2ALDH1A1 | |
| SCHEMBL32666090 | 0.82 | PARP1 (0.52) | PARP1TNKS2ALDH1A1NPC1MAPT | |
| SCHEMBL30665826 | 0.81 | TNKS (0.75) | PARP1LMNATNKS2ALDH1A1NPC1 | |
| SCHEMBL8201681 | 0.81 | MEN1 (0.58) | PARP1TNKS2ALDH1A1MAPTUSP2 | |
| SCHEMBL9145213 | 0.80 | KDM4E (0.70) | PARP1KDM4ELMNAALDH1A1MAPT | |
| SCHEMBL3121100 | 0.80 | PARP1 (0.52) | PARP1KDM4ELMNATNKS2ALDH1A1 |
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-112898290-B | Isoxazole formamido-4 (3H) -quinazolinone derivative and synthesis method and application thereof | 中南大学 | 2022-08-05 | — | — | CN | disclosed |