Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.49 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17895374 | 0.81 | GAA (0.50) | ADORA2AGAADCUN1D1ADORA1TP53 | |
| SCHEMBL29484271 | 0.81 | GAA (0.50) | ADORA2AGAADCUN1D1ADORA1TP53 | |
| SCHEMBL2314103 | 0.80 | RAB9A (0.46) | PIK3CGADORA1TP53HPGDKMT2A | |
| SCHEMBL4700185 | 0.79 | TDO2 (0.55) | ADORA2APIK3CGADORA1KDM4EKMT2A | |
| SCHEMBL942446 | 0.77 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BDPP4TDO2 | |
| SCHEMBL28113133 | 0.77 | PIK3CG (0.47) | ADORA2APIK3CGADORA1ADORA2BDYRK1A | |
| SCHEMBL2379590 | 0.75 | ALOX15 (0.48) | ADORA2AGAAADORA1HPGDKDM4E | |
| SCHEMBL544500 | 0.75 | ALOX15 (0.48) | ADORA2AGAAADORA1HPGDKDM4E | |
| SCHEMBL27866855 | 0.74 | DYRK1A (0.60) | ADORA2APIK3CGADORA1TP53HPGD | |
| SCHEMBL15428616 | 0.73 | ADORA2A (0.51) | ADORA2APIK3CGADORA1ADORA2BCLK4 |
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-106188059-A | Some chemical entities, compositions and method | 英特利凯恩有限责任公司 | 2016-12-07 | — | — | CN | disclosed |