Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90B1 | P14625 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 12/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.40 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20117977 | 0.92 | HSP90B1 (0.71) | HSP90B1HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL20117729 | 0.87 | HSP90B1 (0.60) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117732 | 0.85 | HSP90B1 (0.65) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117738 | 0.84 | HSP90B1 (0.63) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117688 | 0.83 | HSP90B1 (0.60) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117975 | 0.83 | HSP90B1 (0.60) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117712 | 0.82 | HSP90B1 (0.69) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117852 | 0.82 | HSP90B1 (0.69) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL21793970 | 0.81 | HSP90B1 (0.82) | HSP90B1HSP90AA1HSP90AB1TRAP1 | |
| SCHEMBL20117787 | 0.81 | HSP90B1 (0.60) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081814-A1 | GRP94 SELECTIVE INHIBITORS AND USES THEREOF | UNIVERSITY OF KANSAS (US) | 2018-05-03 | — | — | WO | disclosed |