Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 8/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 4/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL18756664 | 0.99 | CHRM1 (0.46) | CHRM1CYP3A4CYP3A5CNR1 | |
| SCHEMBL18756570 | 0.89 | CHRM1 (0.46) | CHRM1CYP3A4CYP3A5CNR1 | |
| SCHEMBL18725353 | 0.88 | CHRM1 (0.61) | CHRM1CNR1 | |
| SCHEMBL18756663 | 0.88 | CHRM1 (0.61) | CHRM1CNR1 | |
| SCHEMBL18725457 | 0.86 | CHRM1 (0.61) | CHRM1 | |
| SCHEMBL6893880 | 0.85 | CHRM1 (0.54) | CHRM1 | |
| SCHEMBL12073429 | 0.84 | PARP1 (0.44) | CHRM1CNR1 | |
| SCHEMBL2224496 | 0.84 | GAA (0.55) | CHRM1CNR1 | |
| SCHEMBL18756200 | 0.83 | CNR1 (0.46) | CHRM1CYP3A4CNR1 | |
| SCHEMBL22212629 | 0.82 | CHRM1 (0.48) | CHRM1 |
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-3156397-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-04-19 | — | — | EP | disclosed |