Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.49 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.49 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.49 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 4/20 | 0.43 |
| ▸ | HRH1 | P35367 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8312795 | 0.93 | ALDH1A1 (0.55) | ALDH1A1GNAI3GNAO1GNAI1PAOX | |
| SCHEMBL13674269 | 0.87 | DGKA (0.59) | ALDH1A1HRH2HRH1 | |
| SCHEMBL9328257 | 0.85 | — | — | |
| SCHEMBL20609092 | 0.85 | SLC18A3 (0.56) | ALDH1A1PAOXSLC18A3HRH1 | |
| SCHEMBL15224088 | 0.84 | SLC18A3 (0.47) | ALDH1A1PAOXSLC18A3HRH2HRH1 | |
| SCHEMBL8148114 | 0.82 | SLC18A3 (0.50) | ALDH1A1SLC18A3HRH1 | |
| SCHEMBL14500225 | 0.80 | SLC18A3 (0.51) | ALDH1A1SLC18A3KCNH2 | |
| SCHEMBL11858444 | 0.80 | SLC18A3 (0.51) | ALDH1A1PAOXSLC18A3 | |
| SCHEMBL17401259 | 0.79 | DGKA (0.67) | ALDH1A1HRH2HRH1 | |
| SCHEMBL11628693 | 0.79 | DGKA (0.67) | ALDH1A1HRH2HRH1 |
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-0517262-A1 | Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-12-09 | — | — | EP | disclosed |