Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 16/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6869047 | 0.87 | ADORA2A (0.40) | ADORA2ANAMPTNPC1ALDH1A1HPGD | |
| SCHEMBL6868263 | 0.85 | MAPT (0.46) | ADORA2ANAMPTNPC1ALDH1A1RAB9A | |
| SCHEMBL6868324 | 0.83 | NAMPT (0.46) | ADORA2ANAMPTALDH1A1HPGDKDM4E | |
| SCHEMBL7703259 | 0.81 | ALDH1A1 (0.42) | ADORA2ANAMPTNPC1ALDH1A1HPGD | |
| SCHEMBL6871320 | 0.81 | SMN1; SMN2 (0.43) | ALOX15ADORA2ANAMPTNPC1ALDH1A1 | |
| SCHEMBL6869779 | 0.80 | ADORA2A (0.46) | ADORA2ANAMPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL6868261 | 0.80 | NPC1 (0.48) | ADORA2ANPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL6870681 | 0.79 | ADORA2A (0.49) | ADORA2ANPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL6867096 | 0.78 | TP53 (0.44) | ALDH1A1HPGDSMN1; SMN2KDM4EGAA | |
| SCHEMBL6867473 | 0.78 | KMT2A (0.43) | ADORA2ANAMPTALDH1A1KMT2A |
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 |