Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950775 | 0.75 | HDAC6 (0.53) | HSP90AA1HSP90AB1HDAC6ADORA2AADORA1 | |
| SCHEMBL3269002 | 0.75 | ADORA2A (0.75) | ADORA2AADORA1 | |
| SCHEMBL28299548 | 0.72 | HDAC6 (0.63) | HSP90AA1HSP90AB1HDAC6ADORA2AADORA1 | |
| SCHEMBL6948823 | 0.71 | HDAC6 (0.47) | HSP90AA1HSP90AB1HDAC6ADORA2AHTT | |
| SCHEMBL6948190 | 0.71 | KRAS (0.40) | DAOHTTDHFRPIK3CAMTOR | |
| SCHEMBL6944407 | 0.69 | HDAC6 (0.50) | HSP90AA1HSP90AB1HDAC6KDM4EALDH1A1 | |
| SCHEMBL4961031 | 0.69 | HDAC6 (0.52) | HSP90AA1HSP90AB1HDAC6ADORA2AADORA1 | |
| SCHEMBL6939917 | 0.68 | HDAC6 (0.56) | HSP90AA1HSP90AB1HDAC6ADORA2AADORA1 | |
| SCHEMBL6947944 | 0.68 | ALDH1A1 (0.56) | HSP90AA1HSP90AB1HDAC6ADORA2AHTT | |
| SCHEMBL29761060 | 0.68 | HDAC6 (0.67) | HSP90AA1HSP90AB1HDAC6ADORA2AADORA1 |
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 |