Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9981014 | 0.87 | ADORA3 (0.38) | ADORA3ADORA1P2RX3PDE10ADRD1 | |
| SCHEMBL9980846 | 0.82 | DRD1 (0.35) | ADORA3PDE10ADRD1MAPK8 | |
| SCHEMBL9981213 | 0.80 | LTA4H (0.43) | ADORA3PDE10ADRD1ALDH1A1MAPK8 | |
| SCHEMBL9982234 | 0.80 | NPY5R (0.39) | PDE10A | |
| Hydrochloric Acid SCHEMBL9980848 | 0.80 | LTA4H (0.42) | ADORA3PDE10ADRD1ALDH1A1MAPK8 | |
| SCHEMBL9982216 | 0.79 | PDE10A (0.40) | PDE10APKM | |
| SCHEMBL9981888 | 0.78 | PDE10A (0.35) | ADORA3ADORA1PDE10ADRD1FAAH | |
| SCHEMBL9980876 | 0.78 | PDE10A (0.35) | ADORA3ADORA1PDE10ADRD1FAAH | |
| SCHEMBL12045532 | 0.73 | LTA4H (0.42) | ADORA3PDE10AALDH1A1 | |
| SCHEMBL9981989 | 0.73 | NTRK1 (0.38) | PDE10APKMALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2585462-B1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICALS CO (JP) | 2020-02-26 | — | — | EP | disclosed |