Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 14/20 | 0.63 |
| ▸ | HSP90AB1 | P08238 | 12/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADCY10 | Q96PN6 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | GRK5 | P34947 | 1/20 | 0.39 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043978 | 0.83 | NUDT1 (0.64) | HSP90AA1HSP90AB1NUDT1ROCK1 | |
| SCHEMBL15757653 | 0.82 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1KDM4ENUDT1CDC7 | |
| SCHEMBL3942360 | 0.78 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1KDM4EGAAADCY10 | |
| SCHEMBL3945098 | 0.78 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KDM4EMAPTPOLB | |
| SCHEMBL3946976 | 0.78 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KDM4EMAPTPOLB | |
| SCHEMBL15757594 | 0.75 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1KDM4ENUDT1MAPT | |
| SCHEMBL30401919 | 0.74 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL20400253 | 0.74 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1KDM4EADCY10CDC7 | |
| SCHEMBL3952031 | 0.73 | HSP90AA1 (0.78) | HSP90AA1HSP90AB1KDM4ENUDT1MAPT | |
| SCHEMBL4281168 | 0.73 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1KDM4ENUDT1ADCY10 |
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 |