Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 6/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 5/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.44 |
| ▸ | TMIGD3 | P0DMS9 | 4/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20857256 | 0.81 | YTHDC1 (0.67) | ADORA3KDM4ECDK1CCNB2CCNB1 | |
| SCHEMBL28252117 | 0.81 | YTHDC1 (0.66) | ADORA3ADORA1ADORA2AADORA2BYTHDC1 | |
| SCHEMBL28252163 | 0.80 | ADORA3 (0.49) | ADORA3KDM4ECDK1CCNB2CCNB1 | |
| SCHEMBL28251685 | 0.80 | ADORA3 (0.49) | ADORA3KDM4ECDK1CCNB2CCNB1 | |
| SCHEMBL26354839 | 0.78 | CDK1 (0.72) | ADORA3KDM4ECDK1CCNB2CCNB1 | |
| Dimethylamine SCHEMBL4134839 | 0.74 | SRC (0.51) | ADORA3KDM4ECDK1CCNB2CCNB1 | |
| SCHEMBL5125772 | 0.72 | HTT (0.73) | CDK1ADORA1TMIGD3ADORA2AADORA2B | |
| SCHEMBL11017101 | 0.71 | PDE4A (0.78) | ADORA1TMIGD3ADORA2AADORA2BPDE4A | |
| SCHEMBL28251690 | 0.71 | LMNA (0.49) | KDM4ECDK1CCNB2CCNB1CCNB3 | |
| SCHEMBL11452052 | 0.69 | HTT (0.67) | ADORA1TMIGD3ADORA2AADORA2BPDE4A |
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-108703970-A | Compound for activating AMPK and application thereof | 华安医学股份有限公司 | 2018-10-26 | — | — | CN | disclosed |