Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | GABRD | O14764 | 1/20 | 0.51 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.51 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL28373238 | 0.80 | NR1H4 (0.55) | NR1H4ALDH1A1KDM4EGAAGFER | |
| SCHEMBL28552030 | 0.78 | ALDH1A1 (0.57) | NR1H4ALDH1A1KDM4EGAAGFER | |
| SCHEMBL13325941 | 0.76 | NR1H4 (0.54) | NR1H4ALDH1A1KDM4EGAAGFER | |
| SCHEMBL2990395 | 0.76 | NR1H4 (0.67) | NR1H4ALDH1A1KDM4EGAAGFER | |
| SCHEMBL6644074 | 0.75 | ALDH1A1 (0.72) | NR1H4ALDH1A1KDM4EGAAGFER | |
| SCHEMBL28619418 | 0.73 | ALDH1A1 (0.54) | NR1H4ALDH1A1KDM4EGAAGFER | |
| SCHEMBL2990394 | 0.71 | ALDH1A1 (1.00) | NR1H4ALDH1A1KDM4EGAAGFER | |
| SCHEMBL20579752 | 0.70 | GABRD (0.52) | NR1H4ALDH1A1KDM4EGAAGFER | |
| SCHEMBL28369694 | 0.69 | GAA (0.60) | ALDH1A1KDM4EGAAHTTHPGD | |
| SCHEMBL22085076 | 0.69 | KDM4E (0.54) | ALDH1A1KDM4EGAAHPGDSMN1; SMN2 |
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-109824702-B | Bis (2-heteroaryl imidazo [1,2-a ] pyridine-3-yl) thioether compound and synthetic method thereof | 郑州大学 | 2020-03-31 | — | — | CN | disclosed |