Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 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 | |
|---|---|---|---|---|
| SCHEMBL6038222 | 0.93 | ADORA2A (0.66) | ADORA2AADORA1ADORA3ADORA2BCYP1A2 | |
| SCHEMBL14264281 | 0.90 | ADORA2A (0.71) | ADORA2AADORA1ADORA3ADORA2BCYP1A2 | |
| SCHEMBL8287561 | 0.87 | ADORA2A (0.69) | ADORA2AADORA1ADORA3ADORA2BCYP1A2 | |
| SCHEMBL5022475 | 0.80 | ADORA2A (0.69) | ADORA2AADORA1ADORA3ADORA2BMEN1 | |
| SCHEMBL5016276 | 0.80 | ADORA2A (0.69) | ADORA2AADORA1ADORA3ADORA2BCYP1A2 | |
| SCHEMBL8286669 | 0.80 | ADORA2A (0.74) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL8287491 | 0.79 | ADORA2A (0.63) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL5022283 | 0.79 | ADORA2A (0.65) | ADORA2AADORA1ADORA3ADORA2BCYP1A2 | |
| SCHEMBL5017677 | 0.79 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5022291 | 0.79 | ADORA2A (0.77) | ADORA2AADORA1ADORA3ADORA2BCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005058883-A1 | 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2005-06-30 | — | — | WO | disclosed |