Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 11/20 | 0.62 |
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ADCY10 | Q96PN6 | 2/20 | 0.45 |
| ▸ | AGPAT2 | O15120 | 4/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | GRK5 | P34947 | 1/20 | 0.41 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL4282276 | 0.86 | HSP90AB1 (0.60) | HSP90AB1HSP90AA1KDM4EADCY10AGPAT2 | |
| SCHEMBL28043958 | 0.81 | NUDT1 (0.54) | AGPAT2 | |
| SCHEMBL4281889 | 0.80 | HSP90AB1 (0.75) | HSP90AB1HSP90AA1KDM4EAGPAT2HTR2B | |
| SCHEMBL28043963 | 0.79 | AGPAT2 (0.51) | KDM4EAGPAT2SMN1; SMN2CDK9CDK5 | |
| SCHEMBL28043877 | 0.78 | HSP90AA1 (0.59) | HSP90AB1HSP90AA1KDM4EADCY10CDC7 | |
| SCHEMBL4282884 | 0.78 | AGPAT2 (0.67) | HSP90AB1HSP90AA1KDM4EAGPAT2 | |
| SCHEMBL4291570 | 0.78 | HSP90AA1 (0.66) | HSP90AB1HSP90AA1KDM4EAGPAT2HTR2B | |
| SCHEMBL28043753 | 0.77 | NUDT1 (0.58) | AGPAT2ROCK1 | |
| SCHEMBL3944846 | 0.77 | HSP90AB1 (1.00) | HSP90AB1HSP90AA1KDM4EAGPAT2HTR2B | |
| SCHEMBL28267174 | 0.76 | CDC7 (0.38) | HSP90AB1HSP90AA1CDC7DAPK3MAP4K4 |
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 |