Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 12/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27696991 | 0.76 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL5039892 | 0.76 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL27696990 | 0.76 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL987114 | 0.75 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL987368 | 0.75 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3HSP90AA1 | |
| SCHEMBL1755068 | 0.73 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL31061536 | 0.72 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3HSP90AA1 | |
| SCHEMBL1965296 | 0.72 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3HSP90AA1 | |
| SCHEMBL27696961 | 0.71 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BADORA3KMT2A | |
| SCHEMBL1966711 | 0.71 | ADORA2A (0.70) | ADORA2AADORA1ADORA2BADORA3ERBB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101085785-B | Purine compounds for curing hepatitis B, preparation method and use thereof, and composition containing the compounds | SHANGHAI INST MATERIA MEDICA | 2011-09-21 | — | — | CN | claimed |
| CN-101085785-A | Purine compounds for curing hepatitis B, preparation method and use thereof, and composition containing the compounds | SHANGHAI INST MATERIA MEDICA (CN) | 2007-12-12 | — | — | CN | claimed |
| CN-101085785-B | Purine compounds for curing hepatitis B, preparation method and use thereof, and composition containing the compounds | SHANGHAI INST MATERIA MEDICA | 2011-09-21 | — | — | CN | disclosed |
| CN-101085785-A | Purine compounds for curing hepatitis B, preparation method and use thereof, and composition containing the compounds | SHANGHAI INST MATERIA MEDICA (CN) | 2007-12-12 | — | — | CN | disclosed |