Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 6/20 | 1.00 |
| ▸ | ATP1B1 | P05026 | 6/20 | 1.00 |
| ▸ | ATP1A3 | P13637 | 6/20 | 1.00 |
| ▸ | ATP1B2 | P14415 | 6/20 | 1.00 |
| ▸ | ATP1A2 | P50993 | 6/20 | 1.00 |
| ▸ | ATP1B3 | P54709 | 6/20 | 1.00 |
| ▸ | FXYD2 | P54710 | 6/20 | 1.00 |
| ▸ | ATP1A4 | Q13733 | 6/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | CYP3A5 | P20815 | 2/20 | 1.00 |
| ▸ | AR | P10275 | 1/20 | 1.00 |
| ▸ | ZFP91 | Q96JP5 | 1/20 | 1.00 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.73 |
| ▸ | STAT3 | P40763 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.63 |
| ▸ | ATP12A | P54707 | 2/20 | 0.63 |
| ▸ | TP53 | P04637 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Bufalin SCHEMBL12756993 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL16628184 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL14477877 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL165666 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL20127236 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL23382204 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL15864888 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL21083171 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL21129737 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufalin SCHEMBL8257006 | 1.00 | ATP1A1 (1.00) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 |
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-2523966-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | SUZHOU NEUPHARMA CO LTD (CN) | 2017-10-04 | — | — | EP | disclosed |