Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30081090 | 1.00 | XDH (0.45) | XDHALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL28873068 | 0.79 | HSD17B2 (0.50) | ALDH1A1KMT2AMEN1HSD17B2HSP90AA1 | |
| SCHEMBL30081086 | 0.79 | HSD17B2 (0.50) | ALDH1A1KMT2AMEN1HSD17B2HSP90AA1 | |
| SCHEMBL28873073 | 0.79 | NPC1 (0.50) | XDHALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL28963333 | 0.79 | KMT2A (0.49) | ALDH1A1HPGDKMT2AMEN1HSD17B1 | |
| SCHEMBL29965092 | 0.79 | KMT2A (0.49) | ALDH1A1HPGDKMT2AMEN1HSD17B1 | |
| SCHEMBL30081083 | 0.79 | XDH (0.57) | XDHALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL28297822 | 0.79 | XDH (0.57) | XDHALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL30081081 | 0.74 | XDH (0.53) | XDHALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL28873084 | 0.74 | XDH (0.53) | XDHALDH1A1HPGDKMT2AMEN1 |
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-109721579-B | 7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |