Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADK | P55263 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29062120 | 1.00 | ADK (0.47) | ADKEGFRPDE5ATYRALDH1A1 | |
| SCHEMBL29062123 | 1.00 | ADK (0.47) | ADKEGFRPDE5ATYRALDH1A1 | |
| SCHEMBL30105919 | 0.85 | DNPH1 (0.45) | — | |
| SCHEMBL9805192 | 0.79 | ADK (0.50) | ADKADORA1 | |
| SCHEMBL6039895 | 0.79 | ADK (0.50) | ADKADORA1 | |
| SCHEMBL6039883 | 0.79 | ADK (0.50) | ADKADORA1 | |
| SCHEMBL29466237 | 0.79 | ADK (0.50) | ADKADORA1 | |
| SCHEMBL9805157 | 0.76 | ADK (0.57) | ADKADORA1ADORA2AADORA3 | |
| SCHEMBL28926173 | 0.74 | CYP1A2 (0.50) | EGFRPDE5AALDH1A1 | |
| SCHEMBL30105914 | 0.74 | CYP1A2 (0.50) | EGFRPDE5AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115536696-B | ENPP1 inhibitors | 上海齐鲁制药研究中心有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-115536696-A | ENPP1 inhibitors | 上海齐鲁制药研究中心有限公司 | 2022-12-30 | — | — | CN | disclosed |