Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 10/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.30 |
| ▸ | TRAP1 | Q12931 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23761010 | 0.85 | ADORA3 (0.43) | — | |
| SCHEMBL24082139 | 0.81 | NR1I2 (0.46) | — | |
| SCHEMBL23761068 | 0.80 | CCNE2 (0.39) | — | |
| SCHEMBL16003496 | 0.79 | HSP90AA1 (0.43) | HSP90AB1HSP90AA1NUDT1 | |
| SCHEMBL20052484 | 0.79 | PI4KA (0.52) | — | |
| SCHEMBL22580897 | 0.77 | CDK1 (0.43) | HSP90AB1HSP90AA1HSP90B1 | |
| SCHEMBL12194502 | 0.76 | PI4KA (0.47) | HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL22889467 | 0.74 | PDE4A (0.32) | — | |
| SCHEMBL19644788 | 0.74 | PDE4A (0.32) | — | |
| SCHEMBL22889219 | 0.74 | ADORA3 (0.42) | — |
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-3150616-B1 | MIXTURE OF RP/SP GEMCITABINE-[PHENYL-(BENZYLOXY-L-ALANINYL)]-PHOSPHATE | UNIV COLLEGE CARDIFF CONSULTANTS LTD (GB) | 2017-05-10 | — | — | EP | disclosed |