Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 9/20 | 0.43 |
| ▸ | NOS3 | P29474 | 8/20 | 0.43 |
| ▸ | NOS1 | P29475 | 8/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11624639 | 0.85 | ABCB11 (0.43) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| SCHEMBL11619775 | 0.82 | ABCB11 (0.70) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL11620483 | 0.81 | LMNA (0.70) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| SCHEMBL23073304 | 0.76 | ALDH1A1 (0.46) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| SCHEMBL15078790 | 0.74 | NOS2 (0.49) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| SCHEMBL17088062 | 0.73 | ABCB11 (0.53) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| SCHEMBL11617137 | 0.73 | SLC6A2 (0.49) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| SCHEMBL28918892 | 0.73 | NOS2 (0.74) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL28918863 | 0.72 | NOS2 (0.73) | ABCB11ADORA3ARCYP2D6SLC6A2 | |
| SCHEMBL11621287 | 0.69 | ALDH1A1 (0.45) | NOS2NOS3NOS1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2793872-B1 | COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL | CENTOGENE IP GMBH (DE) | 2021-03-10 | — | — | EP | disclosed |