Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.53 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.51 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7151749 | 0.82 | ALDH1A1 (0.49) | ADORA3ALDH1A1SMN1; SMN2HPGDHTT | |
| SCHEMBL7423524 | 0.79 | ALDH1A1 (0.53) | ADORA3ADORA1ADORA2AALDH1A1SMN1; SMN2 | |
| SCHEMBL7145308 | 0.79 | MAP3K5 (0.43) | ADORA3NUDT1AHRADORA1ADORA2A | |
| SCHEMBL30676207 | 0.79 | AHR (0.78) | ADORA3NUDT1AHRADORA1ADORA2A | |
| SCHEMBL31722871 | 0.77 | ADORA3 (0.51) | ADORA3NUDT1AHRADORA1ADORA2A | |
| SCHEMBL7434291 | 0.77 | ALDH1A1 (0.57) | ADORA3AHRADORA1ADORA2AALDH1A1 | |
| SCHEMBL7148143 | 0.77 | ADORA2A (0.54) | ADORA1ADORA2AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL7709122 | 0.77 | MAOA (0.47) | ADORA3ADORA1ADORA2AALDH1A1SMN1; SMN2 | |
| SCHEMBL24656050 | 0.75 | NUDT1 (0.59) | NUDT1AHRALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL7703064 | 0.75 | ALDH1A1 (0.45) | ADORA3ADORA1ADORA2AALDH1A1SMN1; SMN2 |
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 |