Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 3/20 | 0.55 |
| ▸ | ATP1B1 | P05026 | 3/20 | 0.55 |
| ▸ | ATP1A3 | P13637 | 3/20 | 0.55 |
| ▸ | ATP1B2 | P14415 | 3/20 | 0.55 |
| ▸ | ATP1A2 | P50993 | 3/20 | 0.55 |
| ▸ | ATP1B3 | P54709 | 3/20 | 0.55 |
| ▸ | FXYD2 | P54710 | 3/20 | 0.55 |
| ▸ | ATP1A4 | Q13733 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | ZFP91 | Q96JP5 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL715351 | 1.00 | ATP1A1 (0.55) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL715350 | 1.00 | ATP1A1 (0.55) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL717655 | 1.00 | ATP1A1 (0.55) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL715352 | 1.00 | ATP1A1 (0.55) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL713758 | 0.96 | ATP1A1 (0.57) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL167282 | 0.96 | ATP1A1 (0.57) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL713759 | 0.96 | ATP1A1 (0.57) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL713757 | 0.96 | ATP1A1 (0.57) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL716113 | 0.96 | ATP1A1 (0.57) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL167358 | 0.93 | ATP1A1 (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | claimed |
| WO-2012027957-A1 | BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | SUZHOU NEUPHARMA CO., LTD. (CN) | 2012-03-08 | — | — | WO | disclosed |