Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL448183 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL30293081 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL530191 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL18237558 | 0.75 | PARP1 (0.45) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL28329925 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL196018 | 0.72 | KDM4E (0.58) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL4413903 | 0.72 | KDM4E (0.58) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL6099088 | 0.72 | KDM4E (0.58) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL6076792 | 0.72 | KDM4E (0.58) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL3139711 | 0.72 | KDM4E (0.58) | ALDH1A1KDM4EHSD17B10HPGDTSHR |
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-104693211-A | Imidazole derivative as antiviral agent and pharmaceutical application thereof | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-06-10 | — | — | CN | disclosed |