Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3162603 | 0.93 | GSK3B (0.48) | GSK3BMAPTKDM4ELMNAALDH1A1 | |
| SCHEMBL3169880 | 0.92 | ADORA3 (0.46) | MAPTKDM4ELMNAALDH1A1HTT | |
| SCHEMBL3162425 | 0.82 | EGFR (0.53) | MAPTKDM4ELMNAALDH1A1HTT | |
| SCHEMBL3171920 | 0.82 | ADORA1 (0.47) | GSK3BADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL3170234 | 0.82 | ADORA1 (0.42) | ADORA1ADORA2AALDH1A1ADORA3ADORA2B | |
| SCHEMBL3170239 | 0.82 | ADORA1 (0.42) | ADORA1ADORA2AALDH1A1ADORA3ADORA2B | |
| SCHEMBL3258722 | 0.81 | EGFR (0.46) | GSK3BADORA1MAPTADORA2AKDM4E | |
| SCHEMBL3163144 | 0.81 | ADORA3 (0.46) | ADORA1MAPTADORA2AKDM4ELMNA | |
| SCHEMBL3163125 | 0.81 | NPC1 (0.47) | GSK3BADORA1MAPTADORA2AKDM4E | |
| SCHEMBL3164709 | 0.81 | NPC1 (0.47) | GSK3BADORA1MAPTADORA2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |