Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 8/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23994251 | 0.85 | IP6K1 (0.39) | NT5EALDH1A1CCNE1CDK2PARP1 | |
| SCHEMBL23994426 | 0.81 | ALDH1A1 (0.37) | NT5EALDH1A1CCNE1CDK2LMNA | |
| Hydrochloric Acid SCHEMBL28947617 | 0.81 | ALDH1A1 (0.36) | NT5EALDH1A1CCNE1CDK2LMNA | |
| SCHEMBL23994941 | 0.80 | NT5E (0.38) | NT5EALDH1A1CCNE1CDK2LMNA | |
| SCHEMBL23992789 | 0.79 | NT5E (0.42) | NT5EALDH1A1CCNE1CDK2 | |
| SCHEMBL23994549 | 0.78 | NT5E (0.40) | NT5EALDH1A1CCNE1CDK2LMNA | |
| SCHEMBL25004690 | 0.78 | NT5E (0.47) | NT5EALDH1A1CCNE1CDK2LMNA | |
| SCHEMBL24514876 | 0.77 | NT5E (0.43) | NT5EALDH1A1CCNE1CDK2 | |
| SCHEMBL23995402 | 0.77 | NT5E (0.35) | NT5EALDH1A1CCNE1CDK2LMNA | |
| SCHEMBL24514837 | 0.77 | CCNE1 (0.43) | NT5EALDH1A1CCNE1CDK2GAA |
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-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |