Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 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 | |
|---|---|---|---|---|
| SCHEMBL7428889 | 0.77 | ADORA2A (0.44) | ADORA2AADORA1ADORA2BHSP90AA1RAB9A | |
| SCHEMBL7150367 | 0.76 | ADORA2A (0.54) | ADORA2AADORA1ADORA2BNPC1KMT2A | |
| SCHEMBL6871431 | 0.75 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPDPK1KMT2A | |
| SCHEMBL6863122 | 0.74 | ADORA2A (0.45) | ADORA2AADORA1ADORA2B | |
| SCHEMBL7148143 | 0.73 | ADORA2A (0.54) | ADORA2AADORA1HSP90AA1KDM4EALDH1A1 | |
| SCHEMBL6871948 | 0.72 | HDAC2 (0.46) | ADORA2ARAB9ANPC1KMT2AMEN1 | |
| SCHEMBL7144401 | 0.71 | ADORA3 (0.53) | ADORA2AADORA1ADORA2BRAB9ANPC1 | |
| SCHEMBL6868013 | 0.71 | ADORA2A (0.42) | ADORA2AADORA1ADORA2BRAB9ANPC1 | |
| SCHEMBL6872077 | 0.71 | ADORA2A (0.42) | ADORA2AADORA1ADORA2BKMT2AKDM4E | |
| SCHEMBL6863049 | 0.70 | ADORA2A (0.45) | ADORA2AKMT2AKDM4EMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6506772-B1 | Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. | HOFFMANN-LA ROCHE INC. | 2003-01-14 | — | — | US | disclosed |