Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ASGR1 | P07306 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.34 |
| ▸ | OGA | O60502 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CD69 | Q07108 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18854303 | 0.95 | ALDH1A1 (0.42) | ALDH1A1THRBMAPK1FUCA1OGA | |
| SCHEMBL24453797 | 0.90 | ALDH1A1 (0.35) | ALDH1A1THRBASGR1MAPK1FUCA1 | |
| SCHEMBL24454404 | 0.84 | MAPK1 (0.39) | ALDH1A1THRBMAPK1CA1CA2 | |
| SCHEMBL12929297 | 0.81 | ASGR1 (0.39) | ASGR1 | |
| SCHEMBL12899979 | 0.81 | ASGR1 (0.39) | ASGR1 | |
| SCHEMBL13541601 | 0.79 | ALDH1A1 (0.56) | ALDH1A1THRBMAPK1OGACA1 | |
| SCHEMBL9914010 | 0.79 | ALDH1A1 (0.56) | ALDH1A1THRBMAPK1OGACA1 | |
| SCHEMBL12337162 | 0.79 | ALDH1A1 (0.56) | ALDH1A1THRBMAPK1OGACA1 | |
| SCHEMBL20626631 | 0.79 | ALDH1A1 (0.56) | ALDH1A1THRBMAPK1OGACA1 | |
| SCHEMBL16076955 | 0.79 | ALDH1A1 (0.56) | ALDH1A1THRBMAPK1OGACA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7884202-B2 | Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals | TOSOH CORPORATION (JP) | 2011-02-08 | — | — | US | disclosed |