Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7763935 | 0.93 | NPC1 (0.42) | CASP1KDM4EALDH1A1HPGDDRD2 | |
| SCHEMBL7763838 | 0.90 | DRD2 (0.43) | CASP1ALDH1A1HPGDDRD2DRD4 | |
| SCHEMBL7767002 | 0.87 | ALDH1A1 (0.52) | CASP1KDM4EALDH1A1HPGDDRD2 | |
| SCHEMBL7771498 | 0.86 | CYP3A4 (0.42) | CASP1ALDH1A1DRD2DRD4NPC1 | |
| SCHEMBL7768549 | 0.85 | DRD2 (0.37) | CASP1KDM4EALDH1A1HPGDDRD2 | |
| SCHEMBL7767000 | 0.84 | KDM4E (0.39) | KDM4EALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL7767131 | 0.82 | NPC1 (0.37) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL7768507 | 0.81 | ALDH1A1 (0.49) | CASP1KDM4EALDH1A1HPGDDRD2 | |
| SCHEMBL7771484 | 0.81 | ALDH1A1 (0.46) | KDM4EALDH1A1HPGDNPSR1HSD17B10 | |
| SCHEMBL7768526 | 0.77 | MAPK14 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0741128-B1 | Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls | HOFFMANN LA ROCHE (CH) | 2001-06-20 | — | — | EP | disclosed |
| EP-0741128-A2 | Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls | F. HOFFMANN-LA ROCHE AG (CH) | 1996-11-06 | — | — | EP | disclosed |