Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 8/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 3/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC29A1 | Q99808 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20059105 | 0.83 | P2RX1 (0.40) | — | |
| SCHEMBL23992674 | 0.83 | ADORA3 (0.52) | ADORA3ADORA1ADORA2B | |
| SCHEMBL13469562 | 0.82 | ADORA2A (0.45) | ADORA2AADORA3ADORA1ADORA2BCYP2C19 | |
| SCHEMBL23584291 | 0.82 | ADORA2A (0.45) | ADORA2AADORA3ADORA1ADORA2BCYP2C19 | |
| SCHEMBL10266182 | 0.82 | ADORA2A (0.45) | ADORA2AADORA3ADORA1ADORA2BCYP2C19 | |
| SCHEMBL20059188 | 0.78 | PNP (0.48) | ADORA2AADORA3ADORA1ADORA2BCYP2C19 | |
| SCHEMBL18661616 | 0.77 | TK1 (0.52) | — | |
| SCHEMBL20977457 | 0.77 | TK1 (0.52) | — | |
| SCHEMBL23680075 | 0.77 | AHCY (0.49) | ADORA2AADORA3ADORA1ADORA2BSLC29A1 | |
| SCHEMBL22474871 | 0.75 | CCNE1 (0.51) | MGMTHSP90AA1HSP90AB1CDK1CCNB1 |
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-2970358-B1 | 3'-DEOXY NUCLEOSIDES FOR THE TREATMENT OF HCV | IDENIX PHARMACEUTICALS LLC (US) | 2021-06-30 | — | — | EP | disclosed |