Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | BACE2 | Q9Y5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL20133641 | 0.76 | KDM4E (0.31) | CHRM1 | |
| SCHEMBL19492754 | 0.76 | CYP2D6 (0.33) | CYP2D6CHRM1HRH1KCNH2BACE1 | |
| SCHEMBL23843301 | 0.76 | NR3C2 (0.34) | CYP2D6CHRM1HRH1KCNH2 | |
| SCHEMBL19514113 | 0.72 | NOS1 (0.40) | — | |
| SCHEMBL9963324 | 0.71 | CYP2D6 (0.40) | CYP2D6CHRM1HRH1KCNH2NPC1 | |
| SCHEMBL12388005 | 0.70 | CYP2D6 (0.39) | CYP2D6CHRM1HRH1KCNH2NPC1 | |
| SCHEMBL22040174 | 0.70 | CYP2D6 (0.39) | CYP2D6CHRM1HRH1KCNH2NPC1 | |
| SCHEMBL469179 | 0.70 | CYP2D6 (0.39) | CYP2D6CHRM1HRH1KCNH2NPC1 | |
| SCHEMBL18793682 | 0.69 | TRPM8 (0.39) | CYP2D6CHRM1HRH1KCNH2 | |
| SCHEMBL21250118 | 0.69 | SCN8A (0.34) | CYP2D6HRH1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9708331-B2 | Metabotrophic glutamate receptor 5 modulators and methods of use thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2017-07-18 | — | — | US | disclosed |