Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.65 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.65 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | AKT2 | P31751 | 1/20 | 0.49 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ILK | Q13418 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL421987 | 0.79 | ADORA2A (1.00) | ADORA2ANUDT1SCN9ADCPSALDH1A1 | |
| Hydrochloric Acid SCHEMBL27344186 | 0.78 | ADORA2A (0.96) | ADORA2ANUDT1SCN9ADCPSALDH1A1 | |
| SCHEMBL12281655 | 0.76 | ADORA2A (0.92) | ADORA2ANUDT1SCN9ADCPS | |
| SCHEMBL21659022 | 0.75 | TNKS (0.43) | ADORA2A | |
| SCHEMBL4113620 | 0.75 | CLK2 (0.50) | ADORA2ANUDT1AKT1AKT2ILK | |
| SCHEMBL29725556 | 0.74 | ACHE (0.66) | ADORA2AAKT1AKT2HPGDILK | |
| SCHEMBL3029368 | 0.73 | ADORA2A (0.79) | ADORA2ANUDT1SCN9ADCPS | |
| SCHEMBL31016745 | 0.73 | ADORA2A (0.65) | ADORA2AAKT1AKT2ILK | |
| SCHEMBL30979893 | 0.72 | ADORA2A (0.77) | ADORA2ANUDT1SCN9ADCPSALDH1A1 | |
| SCHEMBL30616953 | 0.72 | AKT2 (0.48) | ADORA2AAKT1AKT2ALDH1A1CYP1A2 |
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-2023138412-A1 | FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS | INSILICO MEDICINE IP LIMITED (CN) | 2023-07-27 | — | — | WO | disclosed |