Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90B1 | P14625 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20117774 | 0.91 | HSP90B1 (0.57) | HSP90B1HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL20117783 | 0.90 | HSP90B1 (0.49) | HSP90B1CA1CA2CA3CA6 | |
| SCHEMBL20117784 | 0.89 | HSP90B1 (0.53) | HSP90B1CA1CA2CA3CA6 | |
| SCHEMBL20117973 | 0.89 | HSP90B1 (0.47) | HSP90B1HSP90AA1HSP90AB1TRAP1NPC1 | |
| SCHEMBL20117958 | 0.84 | HSP90B1 (0.49) | HSP90B1HSP90AA1HSP90AB1TRAP1JAK2 | |
| SCHEMBL20117777 | 0.84 | HSP90B1 (0.49) | HSP90B1CA1CA2CA3CA6 | |
| SCHEMBL20117878 | 0.83 | HSP90B1 (0.50) | HSP90B1CA1CA2CA3CA6 | |
| SCHEMBL20117781 | 0.82 | HSP90B1 (0.59) | HSP90B1HSP90AA1HSP90AB1 | |
| SCHEMBL20117982 | 0.81 | HSP90B1 (0.49) | HSP90B1HSP90AA1JAK2JAK1TYK2 | |
| SCHEMBL20117785 | 0.80 | HSP90B1 (0.65) | HSP90B1HSP90AA1HSP90AB1 |
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 |