Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 9/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18216841 | 0.87 | ALDH1A1 (0.46) | HCRTR1HCRTR2KDM4EALDH1A1NPC1 | |
| SCHEMBL28510945 | 0.84 | KDM4E (0.38) | HCRTR1HCRTR2KDM4EALDH1A1NPC1 | |
| SCHEMBL28500238 | 0.81 | ALDH1A1 (0.41) | HCRTR1HCRTR2KDM4EALDH1A1NPC1 | |
| SCHEMBL199306 | 0.78 | ALDH1A1 (0.65) | KDM4EALDH1A1NPC1MAPK1LMNA | |
| SCHEMBL31519065 | 0.77 | ALDH1A1 (0.63) | KDM4EALDH1A1NPC1MAPK1LMNA | |
| SCHEMBL28812535 | 0.77 | ALDH1A1 (0.63) | KDM4EALDH1A1NPC1MAPK1LMNA | |
| SCHEMBL31653378 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1NPC1MAPK1LMNA | |
| SCHEMBL13473987 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1NPC1MAPK1LMNA | |
| SCHEMBL28030385 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1NPC1MAPK1LMNA | |
| SCHEMBL12775862 | 0.73 | HCRTR1 (0.42) | HCRTR1HCRTR2KDM4EALDH1A1NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112209916-B | Ruthenium complex, preparation method and catalytic application | 河北师范大学 | 2021-06-01 | — | — | CN | disclosed |
| CN-112209916-A | Ruthenium complex, preparation method and catalytic application | 河北师范大学 | 2021-01-12 | — | — | CN | disclosed |