Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 4/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.32 |
| ▸ | IP6K3 | Q96PC2 | 2/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RAF1 | P04049 | 3/20 | 0.30 |
| ▸ | BRAF | P15056 | 3/20 | 0.30 |
| ▸ | IP6K2 | Q9UHH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL23993292 | 1.00 | NT5E (0.37) | NT5ECCNE1CDK2IP6K1IP6K3 | |
| SCHEMBL23993788 | 0.97 | NT5E (0.36) | NT5ECCNE1CDK2CCNT1CDK1 | |
| SCHEMBL23994834 | 0.96 | NT5E (0.38) | NT5ECCNE1CDK2CCNT1CDK1 | |
| SCHEMBL23994833 | 0.96 | NT5E (0.38) | NT5ECCNE1CDK2CCNT1CDK1 | |
| SCHEMBL23995425 | 0.93 | NT5E (0.37) | NT5ECCNE1CDK2CCNT1CDK1 | |
| SCHEMBL23993300 | 0.92 | NT5E (0.40) | NT5EMAPTKDM4CSYKALDH1A1 | |
| SCHEMBL23995196 | 0.90 | NT5E (0.36) | NT5EIP6K1IP6K3RAF1BRAF | |
| SCHEMBL23994921 | 0.88 | NT5E (0.39) | NT5ECCNE1CDK2ALDH1A1RAF1 | |
| SCHEMBL25004418 | 0.88 | NT5E (0.40) | NT5ESYKALDH1A1RAF1BRAF | |
| SCHEMBL23994932 | 0.88 | NT5E (0.40) | NT5EMAPTKDM4CALDH1A1RAF1 |
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 |