Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 7/20 | 0.68 |
| ▸ | ATP1B1 | P05026 | 7/20 | 0.68 |
| ▸ | ATP1A3 | P13637 | 7/20 | 0.68 |
| ▸ | ATP1B2 | P14415 | 7/20 | 0.68 |
| ▸ | ATP1A2 | P50993 | 7/20 | 0.68 |
| ▸ | ATP1B3 | P54709 | 7/20 | 0.68 |
| ▸ | FXYD2 | P54710 | 7/20 | 0.68 |
| ▸ | ATP1A4 | Q13733 | 7/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.68 |
| ▸ | AR | P10275 | 1/20 | 0.68 |
| ▸ | ZFP91 | Q96JP5 | 1/20 | 0.68 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Bufogenin SCHEMBL1652389 | 0.97 | ATP1A1 (0.72) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL16628192 | 0.97 | ATP1A1 (0.72) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL4528502 | 0.97 | ATP1A1 (0.72) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL8168075 | 0.97 | ATP1A1 (0.72) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL309405 | 0.97 | ATP1A1 (0.72) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL309406 | 0.97 | ATP1A1 (0.72) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL21840080 | 0.96 | ATP1A1 (0.70) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL9098303 | 0.95 | ATP1A1 (0.69) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL9752159 | 0.94 | ATP1A1 (0.68) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| Bufogenin SCHEMBL10587453 | 0.94 | ATP1A1 (0.68) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3201206-A1 | BORONIC ACID DERIVATIVES | Merck Patent GmbH (DE) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016050358-A1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2016-04-07 | — | — | WO | disclosed |