Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL11791349 | 1.00 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP1A1CYP1A2 | |
| SCHEMBL11044814 | 0.88 | GAA (0.33) | SLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL1073590 | 0.86 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1073591 | 0.86 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11569817 | 0.86 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11287172 | 0.81 | GAA (0.30) | SLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL11577452 | 0.81 | GAA (0.30) | SLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL11576962 | 0.81 | GAA (0.30) | SLC6A2SLC6A4SLC6A3GAA | |
| SCHEMBL8861264 | 0.79 | CYP1A2 (0.39) | CYP1A2 | |
| SCHEMBL21462929 | 0.79 | CYP1A2 (0.39) | CYP1A2 |
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-4042707-A | ANALGESICS, NARCOTIC ANTAGONISTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-08-16 | — | — | US | disclosed |