Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.69 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.69 |
| ▸ | AGPAT2 | O15120 | 12/20 | 0.62 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15756953 | 0.89 | AGPAT2 (0.77) | HSP90AA1HSP90AB1AGPAT2NUDT1ALDH1A1 | |
| SCHEMBL15757597 | 0.84 | CHRNA7 (0.52) | HSP90AA1HSP90AB1AGPAT2NUDT1 | |
| SCHEMBL15757612 | 0.84 | NUDT1 (0.61) | HSP90AA1HSP90AB1AGPAT2NUDT1ALDH1A1 | |
| SCHEMBL15757500 | 0.83 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1AGPAT2NUDT1 | |
| SCHEMBL15757878 | 0.82 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1AGPAT2NUDT1ALDH1A1 | |
| SCHEMBL15757153 | 0.80 | AGPAT2 (0.74) | HSP90AA1HSP90AB1AGPAT2NUDT1 | |
| SCHEMBL15757053 | 0.80 | AGPAT2 (0.72) | HSP90AA1HSP90AB1AGPAT2NUDT1 | |
| SCHEMBL15756864 | 0.80 | NUDT1 (0.60) | HSP90AA1HSP90AB1AGPAT2NUDT1ALDH1A1 | |
| SCHEMBL15758089 | 0.80 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1AGPAT2NUDT1ALDH1A1 | |
| SCHEMBL15756869 | 0.79 | NUDT1 (0.58) | HSP90AA1HSP90AB1AGPAT2NUDT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |