Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | PRKACG | P22612 | 1/20 | 0.40 |
| ▸ | PRKACB | P22694 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.39 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL22206944 | 0.82 | CCNK (0.45) | ADORA3MAPTCCNKCDK12KMT2A | |
| SCHEMBL20155602 | 0.76 | IP6K1 (0.40) | ADORA3MAPTKDM4CP2RX7PARP1 | |
| SCHEMBL7479263 | 0.75 | MAPT (0.52) | ADORA3ADORA2AADORA1MAPTPARP1 | |
| SCHEMBL20155109 | 0.74 | ADORA3 (0.56) | ADORA3ADORA2AADORA1MAPTHTR2C | |
| SCHEMBL20155563 | 0.72 | CNR2 (0.42) | MPO | |
| SCHEMBL11155364 | 0.72 | MPO (0.46) | ADORA3ADORA2AADORA1MAPTMPO | |
| SCHEMBL4792680 | 0.72 | MPO (0.46) | ADORA3ADORA2AADORA1MPOHTR2C | |
| SCHEMBL1169684 | 0.72 | MPO (0.46) | ADORA3ADORA2AADORA1MPOHTR2C | |
| SCHEMBL4791000 | 0.71 | ADORA3 (0.45) | ADORA3ADORA2AADORA1MAPTMPO | |
| SCHEMBL1169735 | 0.71 | HDAC8 (0.49) | ADORA3ADORA2AADORA1MPOHTR2C |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |