Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.37 |
| ▸ | STAT6 | P42226 | 9/20 | 0.37 |
| ▸ | SMAD3 | P84022 | 9/20 | 0.37 |
| ▸ | SMAD2 | Q15796 | 9/20 | 0.37 |
| ▸ | ACLY | P53396 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | CBR1 | P16152 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29821925 | 0.83 | HSP90AB1 (0.46) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL10150079 | 0.83 | HSP90AB1 (0.67) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL19418581 | 0.82 | — | — | |
| SCHEMBL21067618 | 0.81 | HSP90AB1 (0.45) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL21067824 | 0.81 | HSP90AB1 (0.45) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL21067825 | 0.81 | HSP90AB1 (0.45) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL31346628 | 0.80 | HSP90AB1 (0.44) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL21067909 | 0.80 | HSP90AB1 (0.44) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL10150085 | 0.79 | HSP90AB1 (0.48) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 | |
| SCHEMBL21068072 | 0.79 | HSP90AB1 (0.43) | HSP90AB1HSP90AA1STAT6SMAD3SMAD2 |
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-2136799-B1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | UNIV STRASBOURG (FR) | 2017-10-04 | — | — | EP | disclosed |