Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
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 | 0.96 | ADORA2A (0.54) | ADORA2AHDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL6950880 | 0.91 | HTT (0.54) | ADORA2AHDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL28299548 | 0.82 | HDAC6 (0.63) | ADORA2AHDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL26605342 | 0.78 | ALDH1A1 (0.51) | ADORA2AHDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL15879501 | 0.78 | ALDH1A1 (0.51) | ADORA2AHDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL6948973 | 0.77 | L3MBTL1 (0.56) | HDAC6KDM4EALDH1A1HPGDADRA1A | |
| SCHEMBL14010824 | 0.74 | KDM4E (0.55) | ADORA2AHDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL3151968 | 0.74 | KDM4E (0.55) | ADORA2AHDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL3157542 | 0.74 | HSD17B10 (0.52) | ADORA2AHDAC6KDM4EALDH1A1HPGD | |
| SCHEMBL20509322 | 0.74 | HPRT1 (0.55) | HDAC6KDM4EALDH1A1HPGDADRA1A |
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 |