Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B2 | P37059 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 4/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873068 | 1.00 | HSD17B2 (0.50) | HSD17B2MEN1KMT2ACNR2L3MBTL1 | |
| SCHEMBL28873083 | 0.82 | NPC1 (0.53) | MEN1KMT2ACNR2L3MBTL1KDM4E | |
| SCHEMBL30022955 | 0.81 | KDM4E (0.50) | MEN1KMT2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28654875 | 0.81 | KDM4E (0.50) | MEN1KMT2AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28873071 | 0.81 | L3MBTL1 (0.46) | CNR2L3MBTL1KDM4EALDH1A1TDP1 | |
| SCHEMBL30081087 | 0.81 | L3MBTL1 (0.46) | CNR2L3MBTL1KDM4EALDH1A1TDP1 | |
| SCHEMBL28937086 | 0.80 | HSD17B2 (0.47) | HSD17B2MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL30081090 | 0.79 | XDH (0.45) | HSD17B2MEN1KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL28957475 | 0.79 | XDH (0.45) | HSD17B2MEN1KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL19934782 | 0.78 | ALDH1A1 (0.51) | MEN1KMT2AL3MBTL1KDM4EALDH1A1 |
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 |