Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP1A1 | P05023 | 11/20 | 0.60 |
| ▸ | ATP1B1 | P05026 | 11/20 | 0.60 |
| ▸ | ATP1A3 | P13637 | 11/20 | 0.60 |
| ▸ | ATP1B2 | P14415 | 11/20 | 0.60 |
| ▸ | ATP1A2 | P50993 | 11/20 | 0.60 |
| ▸ | ATP1B3 | P54709 | 11/20 | 0.60 |
| ▸ | FXYD2 | P54710 | 11/20 | 0.60 |
| ▸ | ATP1A4 | Q13733 | 11/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.60 |
| ▸ | AR | P10275 | 1/20 | 0.60 |
| ▸ | ZFP91 | Q96JP5 | 1/20 | 0.60 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.54 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15605720 | 1.00 | ATP1A1 (0.60) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL29550567 | 0.95 | ATP1A1 (0.61) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL15527182 | 0.94 | ATP1A1 (0.60) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL15527139 | 0.93 | ATP1A1 (0.59) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL29550842 | 0.92 | ATP1A1 (0.61) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL29550183 | 0.90 | ATP1A1 (0.55) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL15527988 | 0.90 | ATP1A1 (0.66) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL15527478 | 0.90 | ATP1A1 (0.60) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL15527097 | 0.89 | ATP1A1 (0.63) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL29550129 | 0.89 | ATP1A1 (0.65) | 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-3453713-B1 | BUFADIENOLIDE COMPOUNDS SUBSTITUTED IN POSITION 3 BY AN AMINE GROUP FOR USE IN THE TREATMENT OF CANCER | NEUPHARMA INC (US) | 2021-09-08 | — | — | EP | disclosed |
| EP-2852285-B1 | BUFADIENOLIDE COMPOUNDS SUBSTITUTED IN POSITION 3 BY A HETEROCYCLIC AMINE FOR USE IN THE TREATMENT OF CANCER | NEUPHARMA INC (US) | 2018-08-08 | — | — | EP | disclosed |