Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 11/20 | 0.64 |
| ▸ | ATP1B1 | P05026 | 11/20 | 0.64 |
| ▸ | ATP1A3 | P13637 | 11/20 | 0.64 |
| ▸ | ATP1B2 | P14415 | 11/20 | 0.64 |
| ▸ | ATP1A2 | P50993 | 11/20 | 0.64 |
| ▸ | ATP1B3 | P54709 | 11/20 | 0.64 |
| ▸ | FXYD2 | P54710 | 11/20 | 0.64 |
| ▸ | ATP1A4 | Q13733 | 11/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.64 |
| ▸ | AR | P10275 | 1/20 | 0.64 |
| ▸ | ZFP91 | Q96JP5 | 1/20 | 0.64 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.56 |
| ▸ | STAT3 | P40763 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20786731 | 0.94 | ATP1A1 (0.64) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL20786722 | 0.88 | ATP1A1 (0.65) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL714900 | 0.88 | ATP1A1 (0.63) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL714902 | 0.88 | ATP1A1 (0.63) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL20786727 | 0.85 | ATP1A1 (0.64) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL18662192 | 0.82 | ATP1A1 (0.64) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL714901 | 0.82 | ATP1A1 (0.63) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL20786724 | 0.81 | ATP1A1 (0.68) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL20786718 | 0.79 | ATP1A1 (0.66) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL22769567 | 0.79 | ATP1A1 (0.64) | 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-3453714-A2 | CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF | Suzhou Neupharma Co., Ltd (CN) | 2019-03-13 | — | — | EP | disclosed |