Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6948072 | 0.92 | ADORA2A (0.54) | HTTADORA2AHDAC6ALDH1A1HSD17B10 | |
| SCHEMBL6946767 | 0.91 | ADORA2A (0.50) | HTTADORA2AHDAC6ALDH1A1HSD17B10 | |
| SCHEMBL28299548 | 0.85 | HDAC6 (0.63) | ADORA2AHDAC6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6948973 | 0.81 | L3MBTL1 (0.56) | HTTHDAC6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL28214100 | 0.78 | HTT (0.48) | HTTADORA2AALDH1A1HSD17B10KDM4E | |
| SCHEMBL3151968 | 0.77 | KDM4E (0.55) | ADORA2AHDAC6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL3157542 | 0.77 | HSD17B10 (0.52) | ADORA2AHDAC6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL14010824 | 0.77 | KDM4E (0.55) | ADORA2AHDAC6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL10997155 | 0.77 | HDAC6 (0.43) | ADORA2AHDAC6ALDH1A1HSD17B10KDM4E | |
| SCHEMBL6946794 | 0.77 | LTA4H (0.64) | HTTADORA2AHDAC6ALDH1A1HSD17B10 |
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 |