Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90B1 | P14625 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20117835 | 0.92 | HSP90B1 (0.78) | HSP90B1HSP90AA1HSP90AB1 | |
| SCHEMBL20117852 | 0.88 | HSP90B1 (0.69) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117712 | 0.86 | HSP90B1 (0.69) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117732 | 0.84 | HSP90B1 (0.65) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117729 | 0.82 | HSP90B1 (0.60) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117738 | 0.81 | HSP90B1 (0.63) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117787 | 0.80 | HSP90B1 (0.60) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117851 | 0.80 | HSP90B1 (0.82) | HSP90B1HSP90AA1HSP90AB1 | |
| SCHEMBL20117976 | 0.80 | HSP90B1 (0.60) | HSP90B1KDM4ETSHRHSP90AA1HSP90AB1 | |
| SCHEMBL20117975 | 0.80 | 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 |