Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.39 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22839809 | 0.89 | BCHE (0.44) | BCHEACHETDP1MAOBCHRM3 | |
| SCHEMBL19782549 | 0.85 | CHRM3 (0.55) | SIGMAR1BCHEACHETDP1MAOB | |
| SCHEMBL22840000 | 0.82 | ACHE (0.43) | BCHEACHEMAOBCHRM3DRD2 | |
| SCHEMBL22839852 | 0.79 | BCHE (0.44) | BCHEACHEMAOBNPFFR1NPFFR2 | |
| SCHEMBL4770264 | 0.77 | TDP1 (0.57) | SIGMAR1TDP1CNR1 | |
| SCHEMBL22839897 | 0.76 | BCHE (0.47) | BCHEACHEMAOBNPFFR1NPFFR2 | |
| SCHEMBL24404489 | 0.75 | ACHE (0.47) | BCHEACHEMAOBNPFFR1NPFFR2 | |
| SCHEMBL22840007 | 0.75 | BCHE (0.51) | BCHEACHEMAOBCHRM3DRD2 | |
| SCHEMBL19782485 | 0.73 | DRD2 (0.44) | BCHEACHEMAOBCHRM3DRD2 | |
| SCHEMBL19784587 | 0.73 | PDK4 (0.53) | TDP1CNR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3484879-B1 | HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARM SPA (IT) | 2020-12-30 | — | — | EP | disclosed |
| WO-2018011090-A1 | HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2018-01-18 | — | — | WO | disclosed |