Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 11/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042663 | 0.77 | P2RX7 (0.34) | P2RX7CHRM4CYP1A2 | |
| SCHEMBL20042664 | 0.76 | P2RX7 (0.40) | P2RX7CHRM4CYP1A2 | |
| SCHEMBL20042745 | 0.74 | P2RX7 (0.33) | P2RX7CHRM4CYP1A2 | |
| SCHEMBL20042793 | 0.71 | SMN1; SMN2 (0.37) | P2RX7CHRM4CYP1A2 | |
| SCHEMBL20042665 | 0.69 | P2RX7 (0.32) | P2RX7 | |
| SCHEMBL20042714 | 0.68 | CHRM4 (0.43) | CHRM4CYP1A2 | |
| SCHEMBL20042759 | 0.67 | CHRM3 (0.35) | CYP1A2CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL20042773 | 0.66 | CHRM4 (0.52) | CHRM4CHRM2CYP1A2 | |
| SCHEMBL20042806 | 0.66 | CNR1 (0.47) | CHRM4 | |
| SCHEMBL20042829 | 0.65 | P2RX7 (0.41) | P2RX7 |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |