Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 8/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4417848 | 0.85 | KHK (0.38) | — | |
| SCHEMBL4414233 | 0.82 | HPGD (0.32) | — | |
| SCHEMBL4427903 | 0.82 | KHK (0.35) | OPRD1CYP2D6KCNH2 | |
| SCHEMBL4267712 | 0.80 | OPRD1 (0.32) | OPRD1CYP2D6KCNH2 | |
| SCHEMBL4266728 | 0.80 | OPRD1 (0.32) | OPRD1CYP2D6KCNH2 | |
| SCHEMBL4266808 | 0.80 | OPRD1 (0.32) | OPRD1CYP2D6KCNH2 | |
| SCHEMBL4418733 | 0.78 | CRBN (0.36) | — | |
| SCHEMBL733137 | 0.77 | HDAC3 (0.47) | — | |
| SCHEMBL4883777 | 0.77 | — | — | |
| SCHEMBL4270727 | 0.77 | PIP5K1C (0.32) | BRD4OPRD1CYP2D6KCNH2 |
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-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |