Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL21235431 | 0.89 | CHRM1 (0.36) | KCNH2CHRM1GRM2PIK3CAMTOR | |
| SCHEMBL18756162 | 0.81 | CHRM1 (0.58) | KCNH2CHRM1 | |
| SCHEMBL21235161 | 0.79 | KCNH2 (0.41) | KCNH2CHRM1CHRNA7GRM2ACACB | |
| SCHEMBL18756165 | 0.78 | ADORA2A (0.45) | CHRM1CHRNA7 | |
| SCHEMBL18756126 | 0.78 | GRM2 (0.42) | KCNH2GRM2ACACBPIK3CASMN1; SMN2 | |
| SCHEMBL18756125 | 0.77 | CHRM1 (0.37) | KCNH2CHRM1GRM2PIK3CAMTOR | |
| SCHEMBL18725367 | 0.73 | CHRM1 (0.51) | CHRM1 | |
| SCHEMBL18725453 | 0.70 | CHRM1 (0.60) | CHRM1 | |
| SCHEMBL18756584 | 0.70 | CHRM1 (0.60) | CHRM1 | |
| SCHEMBL18725356 | 0.70 | CHRM1 (0.60) | 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 |