Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | FTO | Q9C0B1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28873061 | 1.00 | ABCG2 (0.47) | ABCG2KDM4EALDH1A1HPGDGAA | |
| SCHEMBL19934782 | 0.88 | ALDH1A1 (0.51) | ABCG2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL30022955 | 0.87 | KDM4E (0.50) | ABCG2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28654875 | 0.87 | KDM4E (0.50) | ABCG2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28873090 | 0.86 | SMN1; SMN2 (0.47) | ABCG2KDM4EALDH1A1HPGDGAA | |
| SCHEMBL28873053 | 0.86 | MAOB (0.50) | ABCG2KDM4EALDH1A1HPGDGAA | |
| SCHEMBL28873083 | 0.85 | NPC1 (0.53) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL28873074 | 0.84 | MAOB (0.50) | ABCG2ALDH1A1HPGDGAAHSD17B10 | |
| SCHEMBL28873080 | 0.84 | RAB9A (0.53) | ABCG2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28659204 | 0.82 | GPR35 (0.48) | ABCG2KDM4EALDH1A1HPGDHSD17B10 |
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 |