Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 15/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14919110 | 0.83 | MAPT (0.42) | ATM | |
| SCHEMBL14972882 | 0.83 | HTR2C (0.40) | — | |
| SCHEMBL13339981 | 0.83 | OPRD1 (0.43) | ATMOPRD1KCNH2OPRK1CYP2D6 | |
| Hydrochloric Acid SCHEMBL3495476 | 0.82 | OPRD1 (0.42) | ATMOPRD1KCNH2OPRK1CYP2D6 | |
| SCHEMBL3837866 | 0.80 | OPRD1 (0.42) | ATMOPRD1KCNH2OPRK1CYP2D6 | |
| SCHEMBL2591939 | 0.78 | OPRD1 (0.39) | ATMOPRD1KCNH2OPRK1CYP2D6 | |
| SCHEMBL2589311 | 0.77 | OPRD1 (0.44) | OPRD1KCNH2OPRK1CYP2D6ALDH1A1 | |
| SCHEMBL12482165 | 0.75 | MAOB (0.46) | OPRD1KCNH2OPRK1CYP2D6ALDH1A1 | |
| SCHEMBL3457811 | 0.74 | OPRD1 (0.45) | OPRD1KCNH2OPRK1CYP2D6OPRM1 | |
| SCHEMBL7845728 | 0.72 | OPRD1 (0.38) | OPRD1KCNH2OPRK1CYP2D6OPRM1 |
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-2675812-A1 | CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-12-25 | — | — | EP | disclosed |
| WO-2012112743-A1 | CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-23 | — | — | WO | disclosed |