Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 6/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6945092 | 0.76 | HDAC6 (0.64) | HDAC6HSP90AA1HSP90AB1ADORA2AKDM4E | |
| SCHEMBL6948194 | 0.75 | HSP90AA1 (0.45) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL28299548 | 0.75 | HDAC6 (0.63) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL6939917 | 0.74 | HDAC6 (0.56) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL6947944 | 0.74 | ALDH1A1 (0.56) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL6946592 | 0.74 | HDAC6 (0.62) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL3269254 | 0.73 | ADORA2A (0.75) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL6941912 | 0.73 | HDAC6 (0.60) | HDAC6HSP90AA1HSP90AB1ADORA2AMET | |
| SCHEMBL7077177 | 0.71 | ADORA2A (0.58) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 | |
| SCHEMBL6944465 | 0.71 | HDAC6 (0.55) | HDAC6HSP90AA1HSP90AB1ADORA2AADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |