Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ACLY | P53396 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | CBR1 | P16152 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | STAT6 | P42226 | 8/20 | 0.38 |
| ▸ | SMAD3 | P84022 | 8/20 | 0.38 |
| ▸ | SMAD2 | Q15796 | 8/20 | 0.38 |
| ▸ | GEMIN4 | P57678 | 1/20 | 0.36 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20840851 | 0.85 | HSP90AB1 (0.50) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL10186746 | 0.82 | HSP90AB1 (0.52) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL19418327 | 0.82 | HSP90AB1 (0.52) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL20840840 | 0.82 | HSP90AB1 (0.46) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL20840838 | 0.80 | HSP90AB1 (0.48) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL18871691 | 0.78 | HSP90AB1 (0.44) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL20840837 | 0.76 | HSP90AB1 (0.42) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL19418380 | 0.75 | HSP90AB1 (0.44) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL20840841 | 0.75 | HSP90AB1 (0.49) | HSP90AB1MAPTHSP90AA1RAB9ANPSR1 | |
| SCHEMBL19418239 | 0.72 | HSP90AB1 (0.41) | HSP90AB1HSP90AA1ACLYSTAT6SMAD3 |
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 |