Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.39 |
| ▸ | SLC29A1 | Q99808 | 3/20 | 0.39 |
| ▸ | HINT1 | P49773 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8586292 | 0.85 | NT5E (0.42) | NT5ECYP2C19ADORA2AADORA3ADORA1 | |
| SCHEMBL8587172 | 0.84 | ADORA2A (0.47) | CYP2C19ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL31367285 | 0.81 | HINT1 (0.49) | NT5EADORA3HINT1 | |
| SCHEMBL16125688 | 0.76 | ADORA2A (0.45) | CYP2C19ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL8529892 | 0.76 | CYP2C19 (0.52) | CYP2C19ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL8532515 | 0.76 | CYP2C19 (0.52) | CYP2C19ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL8587367 | 0.76 | ADORA2A (0.41) | CYP2C19ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL8588424 | 0.75 | ADORA3 (0.42) | NT5ECYP2C19ADORA2AADORA3ADORA1 | |
| Nelarabine SCHEMBL18820 | 0.74 | CYP2C19 (0.71) | NT5ECYP2C19ADORA2AADORA3ADORA1 | |
| Nelarabine SCHEMBL20769831 | 0.74 | CYP2C19 (0.71) | NT5ECYP2C19ADORA2AADORA3ADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998042352-A1 | METHOD FOR TREATING B-CELL TUMORS WITH ARA-G NUCLEOSIDE DERIVATIVES | GLAXO GROUP LTD. (GB) | 1998-10-01 | — | — | WO | disclosed |
| WO-1992001456-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-02-06 | — | — | WO | disclosed |