Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HINT1 | P49773 | 6/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.49 |
| ▸ | NT5E | P21589 | 3/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | PRKACA | P17612 | 2/20 | 0.46 |
| ▸ | PGK1 | P00558 | 1/20 | 0.45 |
| ▸ | PGK2 | P07205 | 1/20 | 0.45 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.45 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8532886 | 0.93 | HINT1 (0.61) | HINT1ADORA3NT5EADORA1CYP2C19 | |
| SCHEMBL8532674 | 0.90 | HINT1 (0.61) | HINT1ADORA3NT5EADORA1CYP2C19 | |
| SCHEMBL8529229 | 0.88 | HINT1 (0.59) | HINT1ADORA3NT5EADORA1CYP2C19 | |
| SCHEMBL8529529 | 0.88 | HINT1 (0.63) | HINT1ADORA3NT5EADORA1CYP2C19 | |
| SCHEMBL8530562 | 0.86 | HINT1 (0.62) | HINT1ADORA3NT5EADORA1CYP2C19 | |
| SCHEMBL8529428 | 0.84 | HINT1 (0.61) | HINT1ADORA3NT5EADORA1CYP2C19 | |
| SCHEMBL16141624 | 0.82 | ADORA3 (0.67) | HINT1ADORA3NT5EADORA1CYP2C19 | |
| SCHEMBL15643631 | 0.82 | ADORA3 (0.67) | HINT1ADORA3NT5EADORA1CYP2C19 | |
| Nelarabine SCHEMBL20769831 | 0.80 | CYP2C19 (0.71) | ADORA3NT5EADORA1CYP2C19ADORA2B | |
| Nelarabine SCHEMBL13575801 | 0.80 | CYP2C19 (0.71) | ADORA3NT5EADORA1CYP2C19ADORA2B |
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-0539479-B1 | HETEROCYCLIC COMPOUNDS | WELLCOME FOUND (GB) | 1997-04-16 | — | — | EP | disclosed |