Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 7/20 | 0.51 |
| ▸ | PI4K2B | Q8TCG2 | 7/20 | 0.51 |
| ▸ | PI4K2A | Q9BTU6 | 7/20 | 0.51 |
| ▸ | PI4KB | Q9UBF8 | 7/20 | 0.51 |
| ▸ | HSP90B1 | P14625 | 9/20 | 0.49 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039983 | 0.73 | PI4KA (0.56) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL28459777 | 0.70 | HSP90B1 (0.62) | HSP90B1TRAP1HSP90AA1HSP90AB1 | |
| SCHEMBL258584 | 0.70 | ADORA2A (0.59) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL28455587 | 0.69 | HSP90B1 (0.77) | HSP90B1TRAP1HSP90AA1HSP90AB1 | |
| SCHEMBL16487455 | 0.69 | HSP90B1 (0.76) | HSP90B1TRAP1HSP90AA1HSP90AB1 | |
| SCHEMBL14920226 | 0.68 | PI4KA (0.62) | PI4KAPI4K2BPI4K2API4KBNSD2 | |
| SCHEMBL27774840 | 0.67 | PI4KA (0.44) | PI4KAPI4K2BPI4K2API4KBADORA2A | |
| SCHEMBL16486551 | 0.67 | HSP90AA1 (0.51) | HSP90B1TRAP1HSP90AA1HSP90AB1 | |
| SCHEMBL16486667 | 0.66 | HSP90B1 (1.00) | HSP90B1TRAP1HSP90AA1HSP90AB1 | |
| SCHEMBL17900181 | 0.66 | HSP90B1 (0.74) | HSP90B1TRAP1HSP90AA1HSP90AB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3033338-A2 | SELECTIVE GRP94 INHIBITORS AND USES THEREOF | Memorial Sloan-Kettering Cancer Center (US) | 2016-06-22 | — | — | EP | disclosed |
| WO-2015023976-A2 | SELECTIVE GRP94 INHIBITORS AND USES THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2015-02-19 | — | — | WO | disclosed |