Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20725199 | 1.00 | ALDH1A1 (0.32) | ALDH1A1NR3C1FYNADRA2AADORA3 | |
| SCHEMBL24201731 | 0.90 | — | — | |
| SCHEMBL20725165 | 0.90 | CHRM2 (0.39) | — | |
| SCHEMBL16155661 | 0.88 | ALDH1A1 (0.33) | ALDH1A1NR3C1FYNADRA2AADORA3 | |
| SCHEMBL17867789 | 0.88 | ALDH1A1 (0.33) | ALDH1A1NR3C1FYNADRA2AADORA3 | |
| SCHEMBL17867738 | 0.88 | ALDH1A1 (0.33) | ALDH1A1NR3C1FYNADRA2AADORA3 | |
| SCHEMBL20725160 | 0.85 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL21183335 | 0.83 | NLRP3 (0.32) | ALDH1A1 | |
| SCHEMBL24201362 | 0.83 | CA12 (0.35) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL17880487 | 0.77 | CHRM2 (0.40) | — |
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-3939595-A1 | ESTERS OF 2-DEOXY-MONOSACCHARIDES WITH ANTI PROLIFERATIVE ACTIVITY | Board of Regents, The University of Texas System (US) | 2022-01-19 | — | — | EP | disclosed |