Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | NT5E | P21589 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.51 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.50 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.50 |
| ▸ | CD99 | P14209 | 1/20 | 0.49 |
| ▸ | SARS1 | P49591 | 2/20 | 0.48 |
| ▸ | HINT1 | P49773 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL24981044 | 1.00 | CA5A (0.61) | CA5ANT5ELMNAHIF1ACA1 | |
| SCHEMBL28638791 | 0.86 | NT5E (0.52) | CA5ANT5ELMNAHIF1ACA1 | |
| SCHEMBL24981057 | 0.84 | CA5A (0.62) | CA5ANT5ELMNAHIF1ACA1 | |
| SCHEMBL24981043 | 0.84 | CA5A (0.62) | CA5ANT5ELMNAHIF1ACA1 | |
| SCHEMBL14201600 | 0.84 | CA1 (0.78) | CA5ANT5ELMNAHIF1ACA1 | |
| Fludarabine Phosphate SCHEMBL28081318 | 0.78 | CA5A (0.88) | CA5ANT5ELMNAHIF1AADORA1 | |
| SCHEMBL27544578 | 0.78 | CA5A (0.78) | CA5ANT5ELMNAHIF1ACA1 | |
| SCHEMBL17304721 | 0.78 | CA5A (0.78) | CA5ANT5ELMNAHIF1ACA1 | |
| SCHEMBL4457018 | 0.77 | ADORA3 (0.77) | CA5ANT5ELMNAHIF1ACA1 | |
| SCHEMBL4457021 | 0.77 | ADORA3 (0.77) | CA5ANT5ELMNAHIF1ACA1 |
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-2023000708-A1 | POLYSUBSTITUTED PURINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2023-01-26 | — | — | WO | disclosed |