Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | NT5E | P21589 | 3/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | DPYD | Q12882 | 1/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23993650 | 0.84 | DPYD (0.42) | ALDH1A1NT5ECCNE1CDK2DPYD | |
| SCHEMBL23993707 | 0.81 | DPYD (0.41) | ALDH1A1NT5ECCNE1CDK2L3MBTL1 | |
| SCHEMBL23994624 | 0.81 | ALDH1A1 (0.37) | ALDH1A1DAONT5ECCNE1CDK2 | |
| SCHEMBL23994547 | 0.76 | DPYD (0.43) | ALDH1A1NT5ECCNE1CDK2LMNA | |
| SCHEMBL23993490 | 0.76 | KDM4E (0.40) | ALDH1A1NT5ECCNE1CDK2KMT2A | |
| SCHEMBL23994426 | 0.76 | ALDH1A1 (0.37) | ALDH1A1NT5ECCNE1CDK2LMNA | |
| SCHEMBL23994443 | 0.75 | FAAH (0.38) | ALDH1A1DAONT5ECCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL28947617 | 0.74 | ALDH1A1 (0.36) | ALDH1A1NT5ECCNE1CDK2LMNA | |
| SCHEMBL23993668 | 0.74 | NT5E (0.42) | ALDH1A1NT5ECCNE1CDK2LMNA | |
| SCHEMBL23994941 | 0.74 | NT5E (0.38) | ALDH1A1NT5ECCNE1CDK2LMNA |
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 |