Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 18/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.78 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.78 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL6505603 | 0.88 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2BKDM4E | |
| SCHEMBL24227492 | 0.86 | ADORA1 (0.76) | ADORA1ADORA3ADORA2AADORA2BKDM4E | |
| SCHEMBL24227646 | 0.81 | ADORA1 (0.72) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL4827120 | 0.81 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL6501467 | 0.81 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2BKDM4E | |
| SCHEMBL26053899 | 0.79 | ADORA1 (0.72) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL6508924 | 0.79 | ADORA1 (0.82) | ADORA1ADORA3ADORA2AADORA2BKDM4E | |
| SCHEMBL26055757 | 0.79 | ADORA1 (1.00) | ADORA1ADORA3ADORA2AADORA2BKDM4E | |
| SCHEMBL6529699 | 0.79 | ADORA1 (0.74) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL26053924 | 0.78 | ADORA1 (0.71) | ADORA1ADORA3ADORA2AADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005033085-A1 | PYRIMIDINES DERIVATIVES AS ADENOSINE RECEPTORS LIGANDS | UNIVERSITEIT LEIDEN (NL) | 2005-04-14 | — | — | WO | claimed |
| WO-2005033085-A1 | PYRIMIDINES DERIVATIVES AS ADENOSINE RECEPTORS LIGANDS | UNIVERSITEIT LEIDEN (NL) | 2005-04-14 | — | — | WO | disclosed |