Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 12/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 10/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22715904 | 1.00 | ADORA2A (0.39) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL22715627 | 0.81 | ADORA2A (0.37) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL29439817 | 0.81 | ADORA2A (0.37) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL22715826 | 0.81 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL29439845 | 0.81 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL22715698 | 0.78 | CDC7 (0.40) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL28936453 | 0.78 | PIK3CG (0.40) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL29439648 | 0.78 | CDC7 (0.40) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL28699920 | 0.78 | NQO2 (0.35) | — | |
| SCHEMBL29439768 | 0.78 | NQO2 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025235874-A1 | HETEROCYCLICS AS EGFR INHIBITORS | SCHRÖDINGER, INC. (US) | 2025-11-13 | — | — | WO | disclosed |
| CN-118908957-A | Small molecule inhibitors of NF- κB induced kinase | 詹森药业有限公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-114222737-B | Small molecule inhibitors of NF- κB induced kinase | 詹森药业有限公司 | 2024-07-26 | — | — | CN | disclosed |
| EP-3976597-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | Janssen Pharmaceutica NV (BE) | 2022-04-06 | — | — | EP | disclosed |