Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 3/20 | 0.40 |
| ▸ | CCND1 | P24385 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 5/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 5/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL26063528 | 0.87 | ADORA2A (0.41) | CDK4CCND1CDK1CCNB1CCNE1 | |
| SCHEMBL13313319 | 0.79 | MAPT (0.52) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL26063053 | 0.78 | MAPT (0.51) | ALDH1A1HSD17B10PDGFRBPDGFRAMAPT | |
| SCHEMBL20867659 | 0.75 | KDM4E (0.45) | KDM4ENPC1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL20765414 | 0.75 | ADORA2A (0.40) | ALDH1A1CDK4CCND1CDK1CCNB1 | |
| SCHEMBL20764935 | 0.74 | ADORA2A (0.39) | CDK4CCND1CDK1CCNB1CCNE1 | |
| SCHEMBL30439753 | 0.74 | ADORA2A (0.39) | CDK4CCND1CDK1CCNB1CCNE1 | |
| SCHEMBL5581664 | 0.72 | CDK4 (0.46) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL26045395 | 0.72 | ALDH1A1 (0.49) | KDM4ENPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL20764934 | 0.70 | ADORA2A (0.42) | PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3672951-B1 | QUINOXALINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2023-08-30 | — | — | EP | disclosed |