Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 3/20 | 0.50 |
| ▸ | DRD3 | P35462 | 3/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28446165 | 0.89 | DRD2 (0.60) | ALDH1A1KDM4EMAPK1DRD4DRD3 | |
| SCHEMBL28897363 | 0.85 | MAPT (0.52) | ALDH1A1SIGMAR1MAPT | |
| SCHEMBL28439934 | 0.82 | NPC1 (0.46) | LMNAMAPK1HSD17B10MAPT | |
| SCHEMBL28446805 | 0.82 | ACHE (0.46) | LMNADRD4DRD3DRD2MAPT | |
| SCHEMBL28440012 | 0.82 | ALDH1A1 (0.62) | ALDH1A1KDM4ETSHRLMNAMAPK1 | |
| SCHEMBL28897885 | 0.81 | GAA (0.51) | — | |
| SCHEMBL28446037 | 0.81 | KDM4E (0.52) | ALDH1A1KDM4ELMNAHTTMAPK1 | |
| SCHEMBL28444429 | 0.80 | TDP1 (0.46) | ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL28450388 | 0.79 | HTR7 (0.45) | HTR2AHTR1AMAPT | |
| SCHEMBL28447509 | 0.79 | PDE4B (0.50) | ALDH1A1LMNAHTTDRD4DRD3 |
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-111592479-B | Aloe-emodin nitrogen heterocyclic derivative and preparation method and application thereof | 四川大学华西医院 | 2021-10-19 | — | — | CN | disclosed |
| CN-111592479-A | Aloe-emodin nitrogen heterocyclic derivative and preparation method and application thereof | 四川大学华西医院 | 2020-08-28 | — | — | CN | disclosed |