Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | SLC29A1 | Q99808 | 5/20 | 0.45 |
| ▸ | PGK1 | P00558 | 1/20 | 0.43 |
| ▸ | PGK2 | P07205 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8533343 | 0.90 | HINT1 (0.40) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8529481 | 0.86 | HINT1 (0.45) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8528882 | 0.85 | HINT1 (0.45) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8529436 | 0.83 | ALDH1A1 (0.48) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8529223 | 0.83 | HINT1 (0.45) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8533171 | 0.83 | HINT1 (0.40) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8529887 | 0.83 | HINT1 (0.40) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8529274 | 0.82 | ALDH1A1 (0.53) | CYP2C19ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8530373 | 0.81 | ADORA2A (0.40) | CYP2C19ADORA2AADORA2BADORA1SLC29A1 | |
| Nelarabine SCHEMBL20769831 | 0.81 | CYP2C19 (0.71) | CYP2C19ADORA2AADORA2BADORA3ADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821236-A | Tumor treatment with arabinofuranosyl purine derivatives | GLAXO WELLCOME INC. (US) | 1998-10-13 | — | — | US | disclosed |
| US-5747472-A | ANTICARCINOGENIC AGENTS AND ANTITUMOR AGENTS | GLAXO WELLCOME INC. (US) | 1998-05-05 | — | — | US | disclosed |
| US-5492897-A | ANTITUMOR AGENTS, AUTOIMMUNE DISEASES | BURROUGHS WELLCOME CO. (141) (US) | 1996-02-20 | — | — | US | disclosed |
| WO-1992001456-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-02-06 | — | — | WO | disclosed |