Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3441083 | 0.86 | RXFP1 (0.45) | RXFP1ADORA2AADORA2BADORA1LTB4R | |
| SCHEMBL12580951 | 0.77 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1TLR7ERBB2 | |
| SCHEMBL6359922 | 0.73 | PNP (0.57) | RXFP1KDM4E | |
| SCHEMBL14201606 | 0.70 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1LTB4RERBB2 | |
| SCHEMBL3441092 | 0.69 | TLR7 (0.43) | HSP90AA1HSP90AB1ADORA2AADORA2BADORA1 | |
| SCHEMBL12580953 | 0.69 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1TLR7ERBB2FBP1 | |
| SCHEMBL450531 | 0.69 | AKT1 (0.40) | HSP90AA1HSP90AB1ADORA2AADORA2BADORA1 | |
| SCHEMBL3441007 | 0.69 | FBP1 (0.50) | ADORA2AADORA2BADORA1TLR7KDM4E | |
| SCHEMBL449339 | 0.68 | AKT1 (0.38) | HSP90AA1HSP90AB1ADORA2AADORA2BADORA1 | |
| SCHEMBL450637 | 0.68 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1ADORA1LTB4RTLR7 |
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-2016011394-A1 | IMAGING AGENTS FOR NEURAL FLUX | THE GENERAL HOSPITAL CORPORATION (US) | 2016-01-21 | — | — | WO | disclosed |