Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 14/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | PI4KA | P42356 | 6/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 6/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 6/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL23422245 | 0.75 | ADORA2A (0.47) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL2980005 | 0.74 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| SCHEMBL28040161 | 0.68 | KDM4E (0.52) | CYP1A2CYP3A4NFKB1THPOBLM | |
| SCHEMBL5732265 | 0.67 | ADORA2A (0.69) | CYP1A2CYP3A4NFKB1THPOBLM | |
| SCHEMBL5731471 | 0.66 | ADORA2A (0.70) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL20567762 | 0.64 | ADORA2A (0.51) | CYP1A2CYP3A4NFKB1THPOBLM | |
| SCHEMBL2342091 | 0.63 | ADORA2A (0.60) | ADORA2AADORA1ADORA2BGSK3BADORA3 | |
| SCHEMBL23679559 | 0.63 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BADORA3PI4KA | |
| Adenine SCHEMBL40370 | 0.63 | PI4KA (0.40) | CYP1A2CYP3A4NFKB1THPOBLM | |
| Adenine SCHEMBL27690901 | 0.63 | PI4KA (0.40) | CYP1A2CYP3A4NFKB1THPOBLM |
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 |
|---|---|---|---|---|---|---|---|
| CN-1684966-A | Novel adenine compound and use thereof | SUMITOMO PHARMA (JP) | 2005-10-19 | — | — | CN | disclosed |