Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 2/20 | 0.32 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.32 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.32 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.32 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.32 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.32 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.32 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL73173 | 0.81 | ATP1A1 (0.34) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL8050727 | 0.80 | POLB (0.31) | — | |
| SCHEMBL5482308 | 0.77 | ATP1A1 (0.34) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL9063863 | 0.75 | ATP1A1 (0.32) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Ethane SCHEMBL27621691 | 0.70 | NOS1 (0.34) | — | |
| SCHEMBL11165385 | 0.70 | — | — | |
| SCHEMBL36965 | 0.69 | NOS1 (0.36) | — | |
| SCHEMBL5482825 | 0.69 | NOS1 (0.33) | — | |
| SCHEMBL5189141 | 0.69 | ATP1A1 (0.34) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL16619589 | 0.67 | NOS1 (0.32) | — |
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-1048679-A2 | Binders containing isocyanate | BAYER AG (DE) | 2000-11-02 | — | — | EP | disclosed |