Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | CASP7 | P55210 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849376 | 0.80 | ALDH1A1 (0.50) | ALDH1A1NQO1PDE4APDE4BPDE4C | |
| SCHEMBL28966740 | 0.73 | MEN1 (0.43) | ALDH1A1NQO1KDM4EHPGDMAPT | |
| SCHEMBL1711296 | 0.72 | CYP3A4 (0.53) | ALDH1A1NQO1PDE4APDE4BPDE4C | |
| SCHEMBL29368836 | 0.72 | CYP3A4 (0.53) | ALDH1A1NQO1PDE4APDE4BPDE4C | |
| SCHEMBL14748924 | 0.71 | ALDH1A1 (0.41) | ALDH1A1NQO1PDE4APDE4BPDE4C | |
| SCHEMBL7866768 | 0.68 | ALDH1A1 (0.46) | ALDH1A1NQO1PDE4APDE4BPDE4C | |
| SCHEMBL27881860 | 0.67 | RAD52 (0.56) | ALDH1A1NQO1KDM4EHPGDCYP3A4 | |
| SCHEMBL11496731 | 0.67 | ALDH1A1 (0.63) | ALDH1A1NQO1PDE4APDE4BPDE4C | |
| SCHEMBL27751211 | 0.66 | ALDH1A1 (0.50) | ALDH1A1NQO1PDE4APDE4BPDE4C | |
| SCHEMBL28009718 | 0.65 | ESR1 (0.51) | NQO1KDM4EPDGFRBPDGFRAMAPT |
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-0055428-A1 | Bis-(3-sulfopropyl)ethers, process for their preparation and their use as alkylating agents for organic bases | Agfa-Gevaert AG (DE) | 1982-07-07 | — | — | EP | disclosed |