Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17356881 | 0.87 | MAPT (0.47) | PKMLMNAALDH1A1HSP90AA1HDAC3 | |
| SCHEMBL14924904 | 0.86 | KDM4E (0.43) | PKMALDH1A1MAPTGFERACHE | |
| SCHEMBL501296 | 0.86 | GAA (0.50) | PKMLMNAALDH1A1HSP90AA1HDAC3 | |
| SCHEMBL4639806 | 0.81 | LMNA (0.52) | PKMLMNAALDH1A1HSP90AA1POLB | |
| SCHEMBL29382216 | 0.79 | MAPT (0.57) | PKMLMNAALDH1A1HSP90AA1MAPT | |
| SCHEMBL27538691 | 0.79 | LMNA (0.53) | PKMLMNAALDH1A1HSP90AA1POLB | |
| SCHEMBL8945912 | 0.79 | MAPT (0.57) | PKMLMNAALDH1A1HSP90AA1MAPT | |
| Potassium Ion SCHEMBL29477948 | 0.77 | LMNA (0.52) | PKMLMNAALDH1A1HSP90AA1POLB | |
| SCHEMBL2664080 | 0.76 | ALDH1A1 (0.47) | LMNAALDH1A1HSP90AA1POLBMAPT | |
| SCHEMBL29478010 | 0.76 | LMNA (0.50) | PKMLMNAALDH1A1HSP90AA1POLB |
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-9006277-B2 | Triazole compounds that modulate HSP90 activity | SYNTA PHARMACEUTICALS CORP. (US) | 2015-04-14 | — | — | US | disclosed |