Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | JAK1 | P23458 | 2/20 | 0.32 |
| ▸ | TYK2 | P29597 | 2/20 | 0.32 |
| ▸ | JAK3 | P52333 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL24701332 | 0.86 | CA1 (0.36) | HSP90AA1ABCB1JAK2JAK1TYK2 | |
| SCHEMBL21274371 | 0.73 | HSP90AA1 (0.40) | HSP90AA1ABCB1ADORA2AADORA1 | |
| SCHEMBL23599177 | 0.73 | CA1 (0.56) | — | |
| SCHEMBL24701416 | 0.72 | JAK2 (0.31) | JAK2JAK1TYK2JAK3 | |
| SCHEMBL12854738 | 0.68 | KDM4E (0.37) | ADORA2AADORA1 | |
| SCHEMBL28680447 | 0.66 | HSP90AA1 (0.54) | HSP90AA1ABCB1ADORA2AADORA1 | |
| SCHEMBL23598984 | 0.64 | CA1 (0.55) | — | |
| SCHEMBL17563719 | 0.63 | HTT (0.56) | HSP90AA1 | |
| SCHEMBL8935460 | 0.63 | HTT (0.61) | — | |
| SCHEMBL15904291 | 0.62 | PDE10A (0.42) | ABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3752506-B1 | PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS | UNIV LIEGE (BE) | 2022-12-14 | — | — | EP | disclosed |