Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 7/20 | 0.43 |
| ▸ | CNR2 | P34972 | 5/20 | 0.42 |
| ▸ | ABHD12 | Q8N2K0 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18756200 | 0.88 | CNR1 (0.46) | CHRM1CNR1CNR2ABHD12 | |
| SCHEMBL18756162 | 0.88 | CHRM1 (0.58) | CHRM1CNR1 | |
| SCHEMBL18725367 | 0.82 | CHRM1 (0.51) | CHRM1 | |
| SCHEMBL18756664 | 0.81 | CHRM1 (0.46) | CHRM1CNR1CNR2ABHD12 | |
| SCHEMBL21935658 | 0.81 | ADORA2A (0.42) | ADORA2ACHRNA7CHRM1CNR1CNR2 | |
| SCHEMBL22212649 | 0.81 | CHRM1 (0.60) | CHRM1 | |
| SCHEMBL18756126 | 0.81 | GRM2 (0.42) | — | |
| SCHEMBL18756376 | 0.80 | CHRM1 (0.47) | CHRM1CNR1 | |
| SCHEMBL21935399 | 0.80 | ADORA2A (0.43) | ADORA2ACHRNA7CHRM1CNR1CNR2 | |
| SCHEMBL18756164 | 0.78 | KCNH2 (0.42) | CHRNA7CHRM1 |
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-3156397-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2019-08-07 | — | — | EP | disclosed |
| EP-3156397-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2017-04-19 | — | — | EP | disclosed |