Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.85 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| Elesclomol SCHEMBL313745 | 0.92 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1ALDH1A1MAPTLMNA | |
| Elesclomol SCHEMBL2819576 | 0.91 | HSP90AA1 (0.97) | HSP90AA1HSP90AB1ALDH1A1MAPTLMNA | |
| SCHEMBL12354384 | 0.86 | HSP90AA1 (0.88) | HSP90AA1HSP90AB1ALDH1A1MAPTHPGD | |
| SCHEMBL13943131 | 0.84 | HSP90AA1 (0.84) | HSP90AA1HSP90AB1ALDH1A1MAPTLMNA | |
| SCHEMBL12808820 | 0.84 | HSP90AA1 (0.84) | HSP90AA1HSP90AB1ALDH1A1MAPTLMNA | |
| SCHEMBL14295109 | 0.83 | HSP90AA1 (0.82) | HSP90AA1HSP90AB1ALDH1A1MAPTLMNA | |
| SCHEMBL14301338 | 0.83 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1ALDH1A1MAPTLMNA | |
| SCHEMBL14301339 | 0.82 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1ALDH1A1MAPTHPGD | |
| SCHEMBL13042596 | 0.80 | HSP90AA1 (0.77) | HSP90AA1HSP90AB1ALDH1A1MAPTRAB9A | |
| SCHEMBL13042587 | 0.80 | HSP90AA1 (0.77) | HSP90AA1HSP90AB1ALDH1A1MAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013090387-A1 | METHOD OF TREATING NON-SMALL CELL LUNG CANCER WITH BIS-(THIOHYDRAZIDE)AMIDE COMPOUNDS | SYNTA PHARMACEUTICALS CORP. (US) | 2013-06-20 | — | — | WO | disclosed |