Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13748429 | 0.89 | SIRT2 (0.32) | AAK1SLC7A5ADORA1 | |
| SCHEMBL13748613 | 0.87 | AAK1 (0.35) | AAK1SLC7A5 | |
| SCHEMBL13748626 | 0.85 | CYP4F2 (0.34) | ADORA1 | |
| SCHEMBL13748422 | 0.81 | SLC7A5 (0.31) | AAK1SLC7A5 | |
| SCHEMBL13748614 | 0.80 | SYK (0.43) | — | |
| SCHEMBL13749024 | 0.77 | ALOX15 (0.42) | SLC7A5 | |
| SCHEMBL13749099 | 0.77 | ACHE (0.34) | AAK1SLC7A5 | |
| SCHEMBL13749054 | 0.76 | AAK1 (0.35) | AAK1SLC7A5 | |
| SCHEMBL13749158 | 0.75 | ACE (0.39) | — | |
| SCHEMBL24111886 | 0.74 | HTR1B (0.47) | AAK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7569676-B2 | Ecstasy-class derivatives, immunogens, and antibodies and their use in detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2009-08-04 | — | — | US | disclosed |