Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.86 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.86 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.86 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30049995 | 1.00 | KDM4E (0.86) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL28672957 | 0.94 | KDM4E (0.92) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL30644926 | 0.94 | KDM4E (0.92) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL31448489 | 0.93 | ALDH1A1 (1.00) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL2795578 | 0.82 | KDM4E (0.64) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL10285226 | 0.80 | ALDH1A1 (0.66) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL9368516 | 0.77 | KDM4E (0.69) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL29688785 | 0.77 | KDM4E (0.69) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL11445120 | 0.77 | KDM4E (0.64) | KDM4EALDH1A1HSD17B10NPSR1HPGD | |
| SCHEMBL1161408 | 0.77 | KDM4E (0.64) | KDM4EALDH1A1HSD17B10NPSR1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112961112-B | (Z) -enaminone compound and synthesis method thereof | 杭州师范大学 | 2022-12-13 | — | — | CN | disclosed |
| CN-115385863-A | Synthetic method of 3- (diethoxymethyl) -1-alkyl-2 (1H) -quinoxalinone derivative | 河南师范大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-112961112-A | (Z) -enaminone compound and synthesis method thereof | 杭州师范大学 | 2021-06-15 | — | — | CN | disclosed |