Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | KCNE1 | P15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL17658888 | 0.75 | GBA1 (0.35) | CNR1KCNA5CRHR1CYP2D6KCNE1 | |
| SCHEMBL19107496 | 0.67 | CNR1 (0.36) | CNR1KCNA5CYP2D6KCNE1 | |
| SCHEMBL20890509 | 0.67 | CHRNA7 (0.33) | — | |
| SCHEMBL17658913 | 0.66 | TAAR1 (0.36) | — | |
| SCHEMBL15999330 | 0.66 | NCF1 (0.41) | CNR1CYP2D6 | |
| SCHEMBL3225592 | 0.65 | NOS3 (0.42) | CNR1CRHR1 | |
| SCHEMBL23108618 | 0.65 | HRH3 (0.47) | KCNH2CYP2D6 | |
| SCHEMBL20889880 | 0.64 | POLB (0.40) | — | |
| SCHEMBL22788370 | 0.63 | CNR2 (0.39) | CNR1KCNH2CRHR1 | |
| SCHEMBL13384590 | 0.63 | KCNA5 (0.38) | KCNA5KCNH2CRHR1CYP2D6KCNE1 |
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-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |