Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLKL | Q8NB16 | 3/20 | 0.45 |
| ▸ | MPL | P40238 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9637468 | 0.76 | PARP1 (0.39) | HPGD | |
| SCHEMBL9637462 | 0.75 | BRS3 (0.37) | APLNR | |
| SCHEMBL9493716 | 0.71 | BRS3 (0.39) | — | |
| SCHEMBL3172738 | 0.70 | CHEK2 (0.56) | ALDH1A1HSP90AA1ESR2TDP1HPGD | |
| SCHEMBL14089938 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HPGD | |
| SCHEMBL2932936 | 0.68 | AKR1C3 (0.47) | MPLALDH1A1MAPK1HSP90AA1ESR2 | |
| SCHEMBL3813964 | 0.67 | MLKL (0.59) | MLKLALDH1A1MAPK1HSP90AA1ESR2 | |
| SCHEMBL8906012 | 0.67 | APEX1 (0.71) | MPLALDH1A1MAPK1HSP90AA1ESR2 | |
| SCHEMBL9492881 | 0.66 | BRS3 (0.34) | — | |
| SCHEMBL17263165 | 0.66 | MLKL (0.62) | MLKLALDH1A1MAPK1HSP90AA1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5128356-A | Angiotensin antagonist; cardiovascular disorders | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-07-07 | — | — | US | disclosed |