Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4267712 | 0.76 | OPRD1 (0.32) | CYP2D6OPRD1KCNH2 | |
| SCHEMBL4266728 | 0.76 | OPRD1 (0.32) | CYP2D6OPRD1KCNH2 | |
| SCHEMBL4266808 | 0.76 | OPRD1 (0.32) | CYP2D6OPRD1KCNH2 | |
| SCHEMBL731904 | 0.76 | ACACB (0.44) | — | |
| SCHEMBL4759175 | 0.72 | ACACB (0.33) | — | |
| SCHEMBL4411155 | 0.72 | SCN9A (0.37) | CYP2D6OPRD1KCNH2 | |
| SCHEMBL4275303 | 0.71 | MAPT (0.30) | — | |
| SCHEMBL4417848 | 0.70 | KHK (0.38) | — | |
| SCHEMBL4418928 | 0.70 | ROCK2 (0.32) | — | |
| SCHEMBL4270727 | 0.70 | PIP5K1C (0.32) | CYP2D6OPRD1KCNH2 |
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 4 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 | claimed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | claimed |
| 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 |