Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HINT1 | P49773 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NT5E | P21589 | 8/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.41 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8528880 | 0.90 | CYP2C19 (0.36) | HINT1ADORA3ADORA1CYP2C19NT5E | |
| SCHEMBL8533355 | 0.90 | CYP2C19 (0.36) | HINT1ADORA3ADORA1CYP2C19NT5E | |
| SCHEMBL8528882 | 0.80 | HINT1 (0.45) | HINT1ADORA3ADORA1CYP2C19NT5E | |
| SCHEMBL8529064 | 0.79 | CYP2C19 (0.38) | HINT1ADORA3ADORA1CYP2C19NT5E | |
| SCHEMBL8532634 | 0.79 | ALDH1A1 (0.57) | HINT1ADORA3ADORA1CYP2C19NT5E | |
| SCHEMBL15643631 | 0.78 | ADORA3 (0.67) | HINT1ADORA3ADORA1CYP2C19NT5E | |
| SCHEMBL16141624 | 0.78 | ADORA3 (0.67) | HINT1ADORA3ADORA1CYP2C19NT5E | |
| SCHEMBL8532515 | 0.78 | CYP2C19 (0.52) | ADORA3ADORA1CYP2C19ADORA2AADORA2B | |
| SCHEMBL8534590 | 0.77 | HINT1 (0.54) | HINT1ADORA3ADORA1CYP2C19NT5E | |
| SCHEMBL8530540 | 0.76 | CYP2C19 (0.54) | ADORA3ADORA1CYP2C19ADORA2AADORA2B |
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 5 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 |
| EP-0539479-B1 | HETEROCYCLIC COMPOUNDS | WELLCOME FOUND (GB) | 1997-04-16 | — | — | EP | 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 |